5-azanyl-1-(3-methylphenyl)carbonyl-pyrazole-3,4-dicarbonitrile

Systemtic Name: 5-azanyl-1-(3-methylphenyl)carbonyl-pyrazole-3,4-dicarbonitrile Openeye Name: 5-amino-1-(3-methylbenzoyl)pyrazole-3,4-dicarbonitrile CAS Name: 5-amino-1-[(3-methylphenyl)-oxomethyl]pyrazole-3,4-dicarbonitrile IUPAC Name: 5-amino-1-(3-methylbenzoyl)pyrazole-3,4-dicarbonitrile Traditional Name: 5-amino-1-m-toluoyl-pyrazole-3,4-dicarbonitrile Formula: C13H9N5O MolecularWeight: 251.24346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2C(=C(C(=N2)C#N)C#N)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2C(=C(C(=N2)C#N)C#N)N

InChI

InChI=1S/C13H9N5O/c1-8-3-2-4-9(5-8)13(19)18-12(16)10(6-14)11(7-15)17-18/h2-5H,16H2,1H3