ethyl 3-methyl-2-[[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylamino]butanoate

Systemtic Name: ethyl 3-methyl-2-[[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylamino]butanoate Openeye Name: ethyl 3-methyl-2-[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzoyl]amino]butanoate CAS Name: 3-methyl-2-[[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]phenyl]-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzoyl]amino]butanoate Traditional Name: 2-[[4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzoyl]amino]-3-methyl-butyric acid ethyl ester Formula: C27H32N4O7 MolecularWeight: 524.56558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)NC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C(C)C)NC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)[N+](=O)[O-]

InChI

InChI=1S/C27H32N4O7/c1-4-37-26(33)24(17(2)3)28-25(32)18-9-10-22(23(15-18)31(35)36)29-13-11-20(12-14-29)30-21-8-6-5-7-19(21)16-38-27(30)34/h5-10,15,17,20,24H,4,11-14,16H2,1-3H3,(H,28,32)