[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-(4-methoxycarbonylanilino)-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-(4-methoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-(4-carbomethoxyanilino)-2-keto-ethyl] ester Formula: C20H20N2O9 MolecularWeight: 432.3808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N2O9/c1-4-30-17-9-14(15(22(26)27)10-16(17)28-2)20(25)31-11-18(23)21-13-7-5-12(6-8-13)19(24)29-3/h5-10H,4,11H2,1-3H3,(H,21,23)