(pyridin-2-ylamino) 4-(5-azanyl-4-cyano-pyrazol-1-yl)benzoate

Systemtic Name: (pyridin-2-ylamino) 4-(5-azanyl-4-cyano-pyrazol-1-yl)benzoate Openeye Name: (2-pyridylamino) 4-(5-amino-4-cyano-pyrazol-1-yl)benzoate CAS Name: 4-(5-amino-4-cyano-1-pyrazolyl)benzoic acid (2-pyridinylamino) ester IUPAC Name: (pyridin-2-ylamino) 4-(5-amino-4-cyanopyrazol-1-yl)benzoate Traditional Name: 4-(5-amino-4-cyano-pyrazol-1-yl)benzoic acid (2-pyridylamino) ester Formula: C16H12N6O2 MolecularWeight: 320.30548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NOC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C#N)N

Isomeric SMILES

C1=CC=NC(=C1)NOC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C#N)N

InChI

InChI=1S/C16H12N6O2/c17-9-12-10-20-22(15(12)18)13-6-4-11(5-7-13)16(23)24-21-14-3-1-2-8-19-14/h1-8,10H,18H2,(H,19,21)