2-[4-[(4-nitroimidazol-1-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(4-nitroimidazol-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-nitroimidazol-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(4-nitro-1-imidazolyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-nitroimidazol-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-nitroimidazol-1-yl)methyl]phenyl]benzonitrile Formula: C17H12N4O2 MolecularWeight: 304.30278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O2/c18-9-15-3-1-2-4-16(15)14-7-5-13(6-8-14)10-20-11-17(19-12-20)21(22)23/h1-8,11-12H,10H2