3-cyano-5-pyrrol-1-yl-benzoic acid

Systemtic Name: 3-cyano-5-pyrrol-1-yl-benzoic acid Openeye Name: 3-cyano-5-pyrrol-1-yl-benzoic acid CAS Name: 3-cyano-5-(1-pyrrolyl)benzoic acid IUPAC Name: 3-cyano-5-pyrrol-1-ylbenzoic acid Traditional Name: 3-cyano-5-pyrrol-1-yl-benzoic acid Formula: C12H8N2O2 MolecularWeight: 212.20412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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