methyl 2-[(E)-N-(methoxycarbonylamino)-C-methyl-carbonimidoyl]-3-(4-nitrophenyl)-4-oxidanylidene-pentanoate

Systemtic Name: methyl 2-[(E)-N-(methoxycarbonylamino)-C-methyl-carbonimidoyl]-3-(4-nitrophenyl)-4-oxidanylidene-pentanoate Openeye Name: methyl 2-[(E)-N-(methoxycarbonylamino)-C-methyl-carbonimidoyl]-3-(4-nitrophenyl)-4-oxo-pentanoate CAS Name: 2-[(1E)-1-(methoxycarbonylhydrazinylidene)ethyl]-3-(4-nitrophenyl)-4-oxopentanoic acid methyl ester IUPAC Name: methyl 2-[(E)-N-(methoxycarbonylamino)-C-methylcarbonimidoyl]-3-(4-nitrophenyl)-4-oxopentanoate Traditional Name: 2-[(E)-N-(carbomethoxyamino)-C-methyl-carbonimidoyl]-4-keto-3-(4-nitrophenyl)valeric acid methyl ester Formula: C16H19N3O7 MolecularWeight: 365.33796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])C(C(=NNC(=O)OC)C)C(=O)OC

Isomeric SMILES

CC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])C(/C(=N/NC(=O)OC)/C)C(=O)OC

InChI

InChI=1S/C16H19N3O7/c1-9(17-18-16(22)26-4)13(15(21)25-3)14(10(2)20)11-5-7-12(8-6-11)19(23)24/h5-8,13-14H,1-4H3,(H,18,22)/b17-9+