[4-[2-cyano-3-oxidanylidene-3-[(2,4,6-trimethylphenyl)amino]prop-1-enyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-[(2,4,6-trimethylphenyl)amino]prop-1-enyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]phenyl] ester IUPAC Name: [4-[2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-(2-cyano-3-keto-3-mesidino-prop-1-enyl)phenyl] ester Formula: C26H21BrN2O3 MolecularWeight: 489.36054

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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)C

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)C

InChI

InChI=1S/C26H21BrN2O3/c1-16-12-17(2)24(18(3)13-16)29-25(30)21(15-28)14-19-4-10-23(11-5-19)32-26(31)20-6-8-22(27)9-7-20/h4-14H,1-3H3,(H,29,30)