(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C19H18FN3O3 MolecularWeight: 355.362923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)C(C#N)C(=N)C

InChI

InChI=1S/C19H18FN3O3/c1-11-8-16(13(3)23(11)15-6-4-14(20)5-7-15)19(25)26-10-18(24)17(9-21)12(2)22/h4-8,17,22H,10H2,1-3H3