[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(azanyl)benzoate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(azanyl)benzoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 3,5-diaminobenzoate CAS Name: 3,5-diaminobenzoic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 3,5-diaminobenzoate Traditional Name: 3,5-diaminobenzoic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C16H16N4O6 MolecularWeight: 360.32144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O6/c1-25-14-7-12(20(23)24)2-3-13(14)19-15(21)8-26-16(22)9-4-10(17)6-11(18)5-9/h2-7H,8,17-18H2,1H3,(H,19,21)