3-azanyl-2-(phenylcarbonyl)-1H-pyrazole-4,5,5-tricarbonitrile

Systemtic Name: 3-azanyl-2-(phenylcarbonyl)-1H-pyrazole-4,5,5-tricarbonitrile Openeye Name: 3-amino-2-benzoyl-1H-pyrazole-4,5,5-tricarbonitrile CAS Name: 3-amino-2-benzoyl-1H-pyrazole-4,5,5-tricarbonitrile IUPAC Name: 3-amino-2-benzoyl-1H-pyrazole-4,5,5-tricarbonitrile Traditional Name: 5-amino-1-benzoyl-3-pyrazoline-3,3,4-tricarbonitrile Formula: C13H8N6O MolecularWeight: 264.24222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N6O/c14-6-10-11(17)19(18-13(10,7-15)8-16)12(20)9-4-2-1-3-5-9/h1-5,18H,17H2