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

Systemtic Name: 2-(3-cyano-4-pyridin-3-yl-pyrrol-1-yl)ethanoic acid Openeye Name: 2-[3-cyano-4-(3-pyridyl)pyrrol-1-yl]acetic acid CAS Name: 2-[3-cyano-4-(3-pyridinyl)-1-pyrrolyl]acetic acid IUPAC Name: 2-(3-cyano-4-pyridin-3-ylpyrrol-1-yl)acetic acid Traditional Name: 2-[3-cyano-4-(3-pyridyl)pyrrol-1-yl]acetic acid Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O2/c13-4-10-6-15(8-12(16)17)7-11(10)9-2-1-3-14-5-9/h1-3,5-7H,8H2,(H,16,17)