[4-bromanyl-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl] 1-methylcyclohexane-1-carboxylate

Systemtic Name: [4-bromanyl-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl] 1-methylcyclohexane-1-carboxylate Openeye Name: [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl] 1-methylcyclohexanecarboxylate CAS Name: 1-methyl-1-cyclohexanecarboxylic acid [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)-1-pyrrolyl] ester IUPAC Name: [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl] 1-methylcyclohexane-1-carboxylate Traditional Name: 1-methylcyclohexanecarboxylic acid [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl] ester Formula: C20H17BrClF3N2O2 MolecularWeight: 489.71339

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C(=O)ON2C(=C(C(=C2C(F)(F)F)Br)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1(CCCCC1)C(=O)ON2C(=C(C(=C2C(F)(F)F)Br)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17BrClF3N2O2/c1-19(9-3-2-4-10-19)18(28)29-27-16(12-5-7-13(22)8-6-12)14(11-26)15(21)17(27)20(23,24)25/h5-8H,2-4,9-10H2,1H3