[4-[2-cyano-3-[(2,5-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[2-cyano-3-[(2,5-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[2-cyano-3-(2,5-dimethylanilino)-3-oxo-prop-1-enyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[2-cyano-3-(2,5-dimethylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[2-cyano-3-(2,5-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[2-cyano-3-(2,5-dimethylanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C25H19BrN2O3 MolecularWeight: 475.33396

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H19BrN2O3/c1-16-3-4-17(2)23(13-16)28-24(29)20(15-27)14-18-5-11-22(12-6-18)31-25(30)19-7-9-21(26)10-8-19/h3-14H,1-2H3,(H,28,29)