ethyl 2-nitro-3-[[4-[(2-nitro-3-oxidanylidene-butanoyl)amino]cyclohexyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 2-nitro-3-[[4-[(2-nitro-3-oxidanylidene-butanoyl)amino]cyclohexyl]amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 2-nitro-3-[[4-[(2-nitro-3-oxo-butanoyl)amino]cyclohexyl]amino]-3-oxo-propanoate CAS Name: 2-nitro-3-[[4-[(2-nitro-1,3-dioxobutyl)amino]cyclohexyl]amino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 2-nitro-3-[[4-[(2-nitro-3-oxobutanoyl)amino]cyclohexyl]amino]-3-oxopropanoate Traditional Name: 3-keto-3-[[4-[(3-keto-2-nitro-butanoyl)amino]cyclohexyl]amino]-2-nitro-propionic acid ethyl ester Formula: C15H22N4O9 MolecularWeight: 402.35658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)NC1CCC(CC1)NC(=O)C(C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C(=O)NC1CCC(CC1)NC(=O)C(C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H22N4O9/c1-3-28-15(23)12(19(26)27)14(22)17-10-6-4-9(5-7-10)16-13(21)11(8(2)20)18(24)25/h9-12H,3-7H2,1-2H3,(H,16,21)(H,17,22)