[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [2-(2-bromoanilino)-2-oxo-ethyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(2-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromoanilino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(2-bromoanilino)-2-keto-ethyl] ester Formula: C17H10BrF6NO3 MolecularWeight: 470.160619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10BrF6NO3/c18-12-3-1-2-4-13(12)25-14(26)8-28-15(27)9-5-10(16(19,20)21)7-11(6-9)17(22,23)24/h1-7H,8H2,(H,25,26)