3-(2-cyanopyrrol-1-yl)benzoic acid

Systemtic Name: 3-(2-cyanopyrrol-1-yl)benzoic acid Openeye Name: 3-(2-cyanopyrrol-1-yl)benzoic acid CAS Name: 3-(2-cyano-1-pyrrolyl)benzoic acid IUPAC Name: 3-(2-cyanopyrrol-1-yl)benzoic acid Traditional Name: 3-(2-cyanopyrrol-1-yl)benzoic acid Formula: C12H8N2O2 MolecularWeight: 212.20412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=CC=C2C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C=CC=C2C#N)C(=O)O

InChI

InChI=1S/C12H8N2O2/c13-8-11-5-2-6-14(11)10-4-1-3-9(7-10)12(15)16/h1-7H,(H,15,16)