ethyl 3-cyano-4-[2-methyl-3-(trifluoromethyl)phenyl]pyrrole-1-carboxylate

Systemtic Name: ethyl 3-cyano-4-[2-methyl-3-(trifluoromethyl)phenyl]pyrrole-1-carboxylate Openeye Name: ethyl 3-cyano-4-[2-methyl-3-(trifluoromethyl)phenyl]pyrrole-1-carboxylate CAS Name: 3-cyano-4-[2-methyl-3-(trifluoromethyl)phenyl]-1-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-4-[2-methyl-3-(trifluoromethyl)phenyl]pyrrole-1-carboxylate Traditional Name: 3-cyano-4-[2-methyl-3-(trifluoromethyl)phenyl]pyrrole-1-carboxylic acid ethyl ester Formula: C16H13F3N2O2 MolecularWeight: 322.28183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(C(=C1)C2=C(C(=CC=C2)C(F)(F)F)C)C#N

Isomeric SMILES

CCOC(=O)N1C=C(C(=C1)C2=C(C(=CC=C2)C(F)(F)F)C)C#N

InChI

InChI=1S/C16H13F3N2O2/c1-3-23-15(22)21-8-11(7-20)13(9-21)12-5-4-6-14(10(12)2)16(17,18)19/h4-6,8-9H,3H2,1-2H3