1-(2-cyano-3-fluoranyl-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-(2-cyano-3-fluoranyl-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 1-(2-cyano-3-fluoro-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 1-(2-cyano-3-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(2-cyano-3-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-(2-cyano-3-fluoro-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C14H11FN2O2 MolecularWeight: 258.247743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11FN2O2/c1-8-6-10(14(18)19)9(2)17(8)13-5-3-4-12(15)11(13)7-16/h3-6H,1-2H3,(H,18,19)