methyl 2-bromanyl-3-[[3-oxidanylidene-5-[4-(trifluoromethyl)phenyl]cyclohexen-1-yl]amino]benzoate

Systemtic Name: methyl 2-bromanyl-3-[[3-oxidanylidene-5-[4-(trifluoromethyl)phenyl]cyclohexen-1-yl]amino]benzoate Openeye Name: methyl 2-bromo-3-[[3-oxo-5-[4-(trifluoromethyl)phenyl]cyclohexen-1-yl]amino]benzoate CAS Name: 2-bromo-3-[[3-oxo-5-[4-(trifluoromethyl)phenyl]-1-cyclohexenyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-bromo-3-[[3-oxo-5-[4-(trifluoromethyl)phenyl]cyclohexen-1-yl]amino]benzoate Traditional Name: 2-bromo-3-[[3-keto-5-[4-(trifluoromethyl)phenyl]cyclohexen-1-yl]amino]benzoic acid methyl ester Formula: C21H17BrF3NO3 MolecularWeight: 468.26379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)NC2=CC(=O)CC(C2)C3=CC=C(C=C3)C(F)(F)F)Br

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)NC2=CC(=O)CC(C2)C3=CC=C(C=C3)C(F)(F)F)Br

InChI

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