methyl 4-[[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 4-[[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 4-[[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]amino]benzoic acid methyl ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CNC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CNC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c1-25-13-7-8-14(15(9-13)20(23)24)19-16(21)10-18-12-5-3-11(4-6-12)17(22)26-2/h3-9,18H,10H2,1-2H3,(H,19,21)