[2-[[3-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-[[3-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-[3-(methylcarbamoyl)anilino]-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-keto-2-[3-(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)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC(=C2)C(=O)NC

Isomeric SMILES

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

InChI

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