methyl (1S,6R)-6-methyl-2-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]amino]cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,6R)-6-methyl-2-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]amino]cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,6R)-6-methyl-2-oxo-4-[3-(trifluoromethyl)anilino]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-methyl-2-oxo-4-[3-(trifluoromethyl)anilino]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,6R)-6-methyl-2-oxo-4-[3-(trifluoromethyl)anilino]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-2-keto-6-methyl-4-[3-(trifluoromethyl)anilino]cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C16H16F3NO3 MolecularWeight: 327.29835

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1C(=O)OC)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C[C@@H]1CC(=CC(=O)[C@H]1C(=O)OC)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H16F3NO3/c1-9-6-12(8-13(21)14(9)15(22)23-2)20-11-5-3-4-10(7-11)16(17,18)19/h3-5,7-9,14,20H,6H2,1-2H3/t9-,14+/m1/s1