methyl 5-[(E)-3-(4-cyanophenyl)-3-oxidanylidene-prop-1-enyl]-1-(4-fluorophenyl)pyrrole-2-carboxylate

Systemtic Name: methyl 5-[(E)-3-(4-cyanophenyl)-3-oxidanylidene-prop-1-enyl]-1-(4-fluorophenyl)pyrrole-2-carboxylate Openeye Name: methyl 5-[(E)-3-(4-cyanophenyl)-3-oxo-prop-1-enyl]-1-(4-fluorophenyl)pyrrole-2-carboxylate CAS Name: 5-[(E)-3-(4-cyanophenyl)-3-oxoprop-1-enyl]-1-(4-fluorophenyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-3-(4-cyanophenyl)-3-oxoprop-1-enyl]-1-(4-fluorophenyl)pyrrole-2-carboxylate Traditional Name: 5-[(E)-3-(4-cyanophenyl)-3-keto-prop-1-enyl]-1-(4-fluorophenyl)pyrrole-2-carboxylic acid methyl ester Formula: C22H15FN2O3 MolecularWeight: 374.364503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(N1C2=CC=C(C=C2)F)C=CC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=C(N1C2=CC=C(C=C2)F)/C=C/C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H15FN2O3/c1-28-22(27)20-12-10-19(25(20)18-8-6-17(23)7-9-18)11-13-21(26)16-4-2-15(14-24)3-5-16/h2-13H,1H3/b13-11+