3-(5-azanyl-4-cyano-pyrazol-1-yl)benzoic acid

Systemtic Name: 3-(5-azanyl-4-cyano-pyrazol-1-yl)benzoic acid Openeye Name: 3-(5-amino-4-cyano-pyrazol-1-yl)benzoic acid CAS Name: 3-(5-amino-4-cyano-1-pyrazolyl)benzoic acid IUPAC Name: 3-(5-amino-4-cyanopyrazol-1-yl)benzoic acid Traditional Name: 3-(5-amino-4-cyano-pyrazol-1-yl)benzoic acid Formula: C11H8N4O2 MolecularWeight: 228.20682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=C(C=N2)C#N)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=C(C=N2)C#N)N)C(=O)O

InChI

InChI=1S/C11H8N4O2/c12-5-8-6-14-15(10(8)13)9-3-1-2-7(4-9)11(16)17/h1-4,6H,13H2,(H,16,17)