2-(3-cyano-4-phenyl-pyrrol-1-yl)ethanoic acid

Systemtic Name: 2-(3-cyano-4-phenyl-pyrrol-1-yl)ethanoic acid Openeye Name: 2-(3-cyano-4-phenyl-pyrrol-1-yl)acetic acid CAS Name: 2-(3-cyano-4-phenyl-1-pyrrolyl)acetic acid IUPAC Name: 2-(3-cyano-4-phenylpyrrol-1-yl)acetic acid Traditional Name: 2-(3-cyano-4-phenyl-pyrrol-1-yl)acetic acid Formula: C13H10N2O2 MolecularWeight: 226.2307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O2/c14-6-11-7-15(9-13(16)17)8-12(11)10-4-2-1-3-5-10/h1-5,7-8H,9H2,(H,16,17)