ethyl 3-ethyl-5-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxylate

Systemtic Name: ethyl 3-ethyl-5-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxylate Openeye Name: ethyl 3-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxylate CAS Name: 3-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxylate Traditional Name: 4-ethyl-2-keto-1-[3-(trifluoromethyl)phenyl]-3-pyrroline-3-carboxylic acid ethyl ester Formula: C16H16F3NO3 MolecularWeight: 327.29835

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(C1)C2=CC=CC(=C2)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=O)N(C1)C2=CC=CC(=C2)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C16H16F3NO3/c1-3-10-9-20(14(21)13(10)15(22)23-4-2)12-7-5-6-11(8-12)16(17,18)19/h5-8H,3-4,9H2,1-2H3