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

Systemtic Name: [4-[(E)-2-cyano-3-[(2-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyanilino)-3-oxo-prop-1-enyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-2-cyano-3-keto-3-(o-anisidino)prop-1-enyl]phenyl] ester Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3OC

InChI

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