2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid

Systemtic Name: 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid Openeye Name: 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid CAS Name: 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid IUPAC Name: 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid Traditional Name: 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid Formula: C16H13FN2O2 MolecularWeight: 284.285023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13FN2O2/c1-10-7-12(8-13(9-18)16(20)21)11(2)19(10)15-5-3-14(17)4-6-15/h3-8H,1-2H3,(H,20,21)