4-[(3-nitropyrazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(3-nitropyrazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(3-nitropyrazol-1-yl)methyl]benzonitrile CAS Name: 4-[(3-nitro-1-pyrazolyl)methyl]benzonitrile IUPAC Name: 4-[(3-nitropyrazol-1-yl)methyl]benzonitrile Traditional Name: 4-[(3-nitropyrazol-1-yl)methyl]benzonitrile Formula: C11H8N4O2 MolecularWeight: 228.20682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=CC(=N2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=CC(=N2)[N+](=O)[O-])C#N

InChI

InChI=1S/C11H8N4O2/c12-7-9-1-3-10(4-2-9)8-14-6-5-11(13-14)15(16)17/h1-6H,8H2