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

Systemtic Name: [4-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(4-methylanilino)-3-oxo-prop-1-enyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(E)-2-cyano-3-keto-3-(p-toluidino)prop-1-enyl]phenyl] ester Formula: C24H17BrN2O3 MolecularWeight: 461.30738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C24H17BrN2O3/c1-16-2-10-21(11-3-16)27-23(28)19(15-26)14-17-4-12-22(13-5-17)30-24(29)18-6-8-20(25)9-7-18/h2-14H,1H3,(H,27,28)/b19-14+