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

Systemtic Name: [2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-[4-(methylcarbamoyl)anilino]-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-[4-(methylcarbamoyl)anilino]ethyl] ester Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O6/c1-19-14-8-5-12(9-15(14)22(26)27)18(25)28-10-16(23)21-13-6-3-11(4-7-13)17(24)20-2/h3-9,19H,10H2,1-2H3,(H,20,24)(H,21,23)