4-[(5-azanyl-3-oxidanylidene-1H-pyrazol-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(5-azanyl-3-oxidanylidene-1H-pyrazol-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(5-amino-3-oxo-1H-pyrazol-2-yl)methyl]benzonitrile CAS Name: 4-[(5-amino-3-oxo-1H-pyrazol-2-yl)methyl]benzonitrile IUPAC Name: 4-[(5-amino-3-oxo-1H-pyrazol-2-yl)methyl]benzonitrile Traditional Name: 4-[(3-amino-5-keto-3-pyrazolin-1-yl)methyl]benzonitrile Formula: C11H10N4O MolecularWeight: 214.2233

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C=C(N2)N)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C=C(N2)N)C#N

InChI

InChI=1S/C11H10N4O/c12-6-8-1-3-9(4-2-8)7-15-11(16)5-10(13)14-15/h1-5,14H,7,13H2