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

Systemtic Name: [4-[2-cyano-3-[(3,4-dichlorophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzoate Openeye Name: [4-[2-cyano-3-(3,4-dichloroanilino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[2-cyano-3-(3,4-dichloroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[2-cyano-3-(3,4-dichloroanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-cyano-3-(3,4-dichloroanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C24H16Cl2N2O3 MolecularWeight: 451.30144

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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(=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H16Cl2N2O3/c1-15-2-6-17(7-3-15)24(30)31-20-9-4-16(5-10-20)12-18(14-27)23(29)28-19-8-11-21(25)22(26)13-19/h2-13H,1H3,(H,28,29)