ethyl N-[(4-nitrophenyl)carbonylamino]-N-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbamate

Systemtic Name: ethyl N-[(4-nitrophenyl)carbonylamino]-N-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbamate Openeye Name: ethyl N-(2-hydroxy-6-oxo-cyclohexen-1-yl)-N-[(4-nitrobenzoyl)amino]carbamate CAS Name: N-(2-hydroxy-6-oxo-1-cyclohexenyl)-N-[[(4-nitrophenyl)-oxomethyl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-(2-hydroxy-6-oxocyclohexen-1-yl)-N-[(4-nitrobenzoyl)amino]carbamate Traditional Name: N-(2-hydroxy-6-keto-cyclohexen-1-yl)-N-[(4-nitrobenzoyl)amino]carbamic acid ethyl ester Formula: C16H17N3O7 MolecularWeight: 363.32208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C1=C(CCCC1=O)O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N(C1=C(CCCC1=O)O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O7/c1-2-26-16(23)18(14-12(20)4-3-5-13(14)21)17-15(22)10-6-8-11(9-7-10)19(24)25/h6-9,20H,2-5H2,1H3,(H,17,22)