3-(5-azanyl-4-cyano-pyrazol-1-yl)benzoate

Systemtic Name: 3-(5-azanyl-4-cyano-pyrazol-1-yl)benzoate Openeye Name: 3-(5-amino-4-cyano-pyrazol-1-yl)benzoate CAS Name: 3-(5-amino-4-cyano-1-pyrazolyl)benzoate IUPAC Name: 3-(5-amino-4-cyanopyrazol-1-yl)benzoate Traditional Name: 3-(5-amino-4-cyano-pyrazol-1-yl)benzoate Formula: C11H7N4O2- MolecularWeight: 227.19888

Click to see the large picture

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)/p-1