[4-[(E)-2-cyano-3-[(4-ethoxycarbonylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 2-nitrobenzoate

Systemtic Name: [4-[(E)-2-cyano-3-[(4-ethoxycarbonylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 2-nitrobenzoate Openeye Name: [4-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxo-prop-1-enyl]phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxoprop-1-enyl]phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-[(E)-3-(4-carbethoxyanilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C26H19N3O7 MolecularWeight: 485.44496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3[N+](=O)[O-])/C#N

InChI

InChI=1S/C26H19N3O7/c1-2-35-25(31)18-9-11-20(12-10-18)28-24(30)19(16-27)15-17-7-13-21(14-8-17)36-26(32)22-5-3-4-6-23(22)29(33)34/h3-15H,2H2,1H3,(H,28,30)/b19-15+