ethyl 5-(4-chlorophenyl)-4-cyano-1-methyl-2-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-4-cyano-1-methyl-2-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-4-cyano-1-methyl-2-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-4-cyano-1-methyl-2-(trifluoromethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-4-cyano-1-methyl-2-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-4-cyano-1-methyl-2-(trifluoromethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C16H12ClF3N2O2 MolecularWeight: 356.72689

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C#N)C2=CC=C(C=C2)Cl)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C#N)C2=CC=C(C=C2)Cl)C)C(F)(F)F

InChI

InChI=1S/C16H12ClF3N2O2/c1-3-24-15(23)12-11(8-21)13(9-4-6-10(17)7-5-9)22(2)14(12)16(18,19)20/h4-7H,3H2,1-2H3