[4-[2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-methoxybenzoate

Systemtic Name: [4-[2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[2-cyano-3-(2-methylanilino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[2-cyano-3-keto-3-(o-toluidino)prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C)OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C)OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H24N2O5/c1-4-33-25-16-19(15-21(17-28)26(30)29-23-8-6-5-7-18(23)2)9-14-24(25)34-27(31)20-10-12-22(32-3)13-11-20/h5-16H,4H2,1-3H3,(H,29,30)