[2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-(2-ethoxycarbonylanilino)-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-(2-ethoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-(2-carbethoxyanilino)-2-keto-ethyl] ester Formula: C20H20N2O8 MolecularWeight: 416.3814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O8/c1-3-28-17-10-9-13(11-16(17)22(26)27)19(24)30-12-18(23)21-15-8-6-5-7-14(15)20(25)29-4-2/h5-11H,3-4,12H2,1-2H3,(H,21,23)