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

Systemtic Name: 5-[(5-azanyl-3-oxidanylidene-1H-pyrazol-2-yl)methyl]-2-chloranyl-benzenecarbonitrile Openeye Name: 5-[(5-amino-3-oxo-1H-pyrazol-2-yl)methyl]-2-chloro-benzonitrile CAS Name: 5-[(5-amino-3-oxo-1H-pyrazol-2-yl)methyl]-2-chlorobenzonitrile IUPAC Name: 5-[(5-amino-3-oxo-1H-pyrazol-2-yl)methyl]-2-chlorobenzonitrile Traditional Name: 5-[(3-amino-5-keto-3-pyrazolin-1-yl)methyl]-2-chloro-benzonitrile Formula: C11H9ClN4O MolecularWeight: 248.66836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9ClN4O/c12-9-2-1-7(3-8(9)5-13)6-16-11(17)4-10(14)15-16/h1-4,15H,6,14H2