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

Systemtic Name: [4-[(E)-2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methylanilino)-3-oxo-prop-1-enyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-keto-3-(o-toluidino)prop-1-enyl]phenyl] ester Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)/C#N

InChI

InChI=1S/C25H20N2O4/c1-17-5-3-4-6-23(17)27-24(28)20(16-26)15-18-7-11-22(12-8-18)31-25(29)19-9-13-21(30-2)14-10-19/h3-15H,1-2H3,(H,27,28)/b20-15+