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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC(=CC=C3)OC

InChI

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