[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO3/c1-11-5-3-6-12(2)16(11)19-15(20)10-22-17(21)13-7-4-8-14(18)9-13/h3-9H,10H2,1-2H3,(H,19,20)