[2-[(4-bromanyl-2,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate

Systemtic Name: [2-[(4-bromanyl-2,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate Openeye Name: [2-(4-bromo-2,5-dimethyl-anilino)-2-oxo-ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-(4-bromo-2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,5-dimethylanilino)-2-oxoethyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-(4-bromo-2,5-dimethyl-anilino)-2-keto-ethyl] ester Formula: C17H15BrClNO3 MolecularWeight: 396.6629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)NC(=O)COC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)NC(=O)COC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H15BrClNO3/c1-10-7-15(11(2)6-14(10)18)20-16(21)9-23-17(22)12-4-3-5-13(19)8-12/h3-8H,9H2,1-2H3,(H,20,21)