methyl 2-bromanyl-3-[[6-oxidanylidene-3-[3-(trifluoromethyl)phenyl]cyclohexen-1-yl]amino]benzoate

Systemtic Name: methyl 2-bromanyl-3-[[6-oxidanylidene-3-[3-(trifluoromethyl)phenyl]cyclohexen-1-yl]amino]benzoate Openeye Name: methyl 2-bromo-3-[[6-oxo-3-[3-(trifluoromethyl)phenyl]cyclohexen-1-yl]amino]benzoate CAS Name: 2-bromo-3-[[6-oxo-3-[3-(trifluoromethyl)phenyl]-1-cyclohexenyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-bromo-3-[[6-oxo-3-[3-(trifluoromethyl)phenyl]cyclohexen-1-yl]amino]benzoate Traditional Name: 2-bromo-3-[[6-keto-3-[3-(trifluoromethyl)phenyl]cyclohexen-1-yl]amino]benzoic acid methyl ester Formula: C21H17BrF3NO3 MolecularWeight: 468.26379

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)NC2=CC(CCC2=O)C3=CC(=CC=C3)C(F)(F)F)Br

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)NC2=CC(CCC2=O)C3=CC(=CC=C3)C(F)(F)F)Br

InChI

InChI=1S/C21H17BrF3NO3/c1-29-20(28)15-6-3-7-16(19(15)22)26-17-11-13(8-9-18(17)27)12-4-2-5-14(10-12)21(23,24)25/h2-7,10-11,13,26H,8-9H2,1H3