[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C22H18BrNO4 MolecularWeight: 440.28662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrNO4/c1-14-7-10-17(11-8-14)24-21(26)20(15-5-3-2-4-6-15)28-22(27)18-13-16(23)9-12-19(18)25/h2-13,20,25H,1H3,(H,24,26)