ethyl 5-[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)-2-cyano-prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)-2-cyano-prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-3-(2-chloro-6-fluoro-phenyl)-2-cyano-prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-3-(2-chloro-6-fluorophenyl)-2-cyano-1-oxoprop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-3-(2-chloro-6-fluorophenyl)-2-cyanoprop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-3-(2-chloro-6-fluoro-phenyl)-2-cyano-acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H16ClFN2O3 MolecularWeight: 374.793343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=C(C=CC=C2Cl)F)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=C(C=CC=C2Cl)F)/C#N)C

InChI

InChI=1S/C19H16ClFN2O3/c1-4-26-19(25)16-10(2)17(23-11(16)3)18(24)12(9-22)8-13-14(20)6-5-7-15(13)21/h5-8,23H,4H2,1-3H3/b12-8+