[4-[(E)-2-cyano-3-[(2-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-methylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-[(2-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-nitroanilino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(E)-2-cyano-3-(2-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-2-cyano-3-keto-3-(2-nitroanilino)prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C26H21N3O6 MolecularWeight: 471.46144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H21N3O6/c1-3-34-24-15-18(10-13-23(24)35-26(31)19-11-8-17(2)9-12-19)14-20(16-27)25(30)28-21-6-4-5-7-22(21)29(32)33/h4-15H,3H2,1-2H3,(H,28,30)/b20-14+