[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C17H15BrClNO3 MolecularWeight: 396.6629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)Cl)C

InChI

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