2-[3-(3-chloranyl-2-fluoranyl-phenyl)-4-cyano-pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(3-chloranyl-2-fluoranyl-phenyl)-4-cyano-pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-(3-chloro-2-fluoro-phenyl)-4-cyano-pyrrol-1-yl]acetic acid CAS Name: 2-[3-(3-chloro-2-fluorophenyl)-4-cyano-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-(3-chloro-2-fluorophenyl)-4-cyanopyrrol-1-yl]acetic acid Traditional Name: 2-[3-(3-chloro-2-fluoro-phenyl)-4-cyano-pyrrol-1-yl]acetic acid Formula: C13H8ClFN2O2 MolecularWeight: 278.666223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)F)C2=CN(C=C2C#N)CC(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)F)C2=CN(C=C2C#N)CC(=O)O

InChI

InChI=1S/C13H8ClFN2O2/c14-11-3-1-2-9(13(11)15)10-6-17(7-12(18)19)5-8(10)4-16/h1-3,5-6H,7H2,(H,18,19)