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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(N=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(N=C2)[N+](=O)[O-])C#N

InChI

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