ethyl 3-[[3-[[3-[[5-[(3-ethoxy-2-nitro-3-oxidanylidene-propanoyl)amino]-1,3,3-trimethyl-cyclohexyl]methyl]-2,4,6-tris(oxidanylidene)-5-[[1,3,3-trimethyl-5-[(2-nitro-3-oxidanylidene-butanoyl)amino]cyclohexyl]methyl]-1,3,5-triazinan-1-yl]methyl]-3,5,5-trimethyl-cyclohexyl]amino]-2-nitro-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[[3-[[3-[[5-[(3-ethoxy-2-nitro-3-oxidanylidene-propanoyl)amino]-1,3,3-trimethyl-cyclohexyl]methyl]-2,4,6-tris(oxidanylidene)-5-[[1,3,3-trimethyl-5-[(2-nitro-3-oxidanylidene-butanoyl)amino]cyclohexyl]methyl]-1,3,5-triazinan-1-yl]methyl]-3,5,5-trimethyl-cyclohexyl]amino]-2-nitro-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[[3-[[3-[[5-[(3-ethoxy-2-nitro-3-oxo-propanoyl)amino]-1,3,3-trimethyl-cyclohexyl]methyl]-2,4,6-trioxo-5-[[1,3,3-trimethyl-5-[(2-nitro-3-oxo-butanoyl)amino]cyclohexyl]methyl]-1,3,5-triazinan-1-yl]methyl]-3,5,5-trimethyl-cyclohexyl]amino]-2-nitro-3-oxo-propanoate CAS Name: 3-[[3-[[3-[[5-[(3-ethoxy-2-nitro-1,3-dioxopropyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4,6-trioxo-5-[[1,3,3-trimethyl-5-[(2-nitro-1,3-dioxobutyl)amino]cyclohexyl]methyl]-1,3,5-triazinan-1-yl]methyl]-3,5,5-trimethylcyclohexyl]amino]-2-nitro-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[[3-[[5-[(3-ethoxy-2-nitro-3-oxopropanoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4,6-trioxo-5-[[1,3,3-trimethyl-5-[(2-nitro-3-oxobutanoyl)amino]cyclohexyl]methyl]-1,3,5-triazinan-1-yl]methyl]-3,5,5-trimethylcyclohexyl]amino]-2-nitro-3-oxopropanoate Traditional Name: 3-[[3-[[3-[[5-[(3-ethoxy-3-keto-2-nitro-propanoyl)amino]-1,3,3-trimethyl-cyclohexyl]methyl]-2,4,6-triketo-5-[[5-[(3-keto-2-nitro-butanoyl)amino]-1,3,3-trimethyl-cyclohexyl]methyl]-1,3,5-triazinan-1-yl]methyl]-3,5,5-trimethyl-cyclohexyl]amino]-3-keto-2-nitro-propionic acid ethyl ester Formula: C47H73N9O17 MolecularWeight: 1036.13262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)NC1CC(CC(C1)(C)CN2C(=O)N(C(=O)N(C2=O)CC3(CC(CC(C3)(C)C)NC(=O)C(C(=O)OCC)[N+](=O)[O-])C)CC4(CC(CC(C4)(C)C)NC(=O)C(C(=O)C)[N+](=O)[O-])C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C(=O)NC1CC(CC(C1)(C)CN2C(=O)N(C(=O)N(C2=O)CC3(CC(CC(C3)(C)C)NC(=O)C(C(=O)OCC)[N+](=O)[O-])C)CC4(CC(CC(C4)(C)C)NC(=O)C(C(=O)C)[N+](=O)[O-])C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C47H73N9O17/c1-13-72-37(61)32(55(68)69)35(59)49-29-16-43(6,7)22-46(11,19-29)25-52-39(63)51(24-45(10)18-28(15-42(4,5)21-45)48-34(58)31(27(3)57)54(66)67)40(64)53(41(52)65)26-47(12)20-30(17-44(8,9)23-47)50-36(60)33(56(70)71)38(62)73-14-2/h28-33H,13-26H2,1-12H3,(H,48,58)(H,49,59)(H,50,60)