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

Systemtic Name: [4-[(E)-2-cyano-3-[(2-cyanophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-cyanoanilino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(E)-2-cyano-3-(2-cyanoanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-cyanoanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-2-cyano-3-(2-cyanoanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C25H17N3O3 MolecularWeight: 407.42078

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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=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C25H17N3O3/c1-17-6-10-19(11-7-17)25(30)31-22-12-8-18(9-13-22)14-21(16-27)24(29)28-23-5-3-2-4-20(23)15-26/h2-14H,1H3,(H,28,29)/b21-14+