[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C17H16N4O8 MolecularWeight: 404.33094

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O8/c1-18-12-5-3-10(7-14(12)21(26)27)17(23)29-9-16(22)19-13-6-4-11(20(24)25)8-15(13)28-2/h3-8,18H,9H2,1-2H3,(H,19,22)