2-(5-nitroimidazol-1-yl)-2-phenyl-ethanenitrile

Systemtic Name: 2-(5-nitroimidazol-1-yl)-2-phenyl-ethanenitrile Openeye Name: 2-(5-nitroimidazol-1-yl)-2-phenyl-acetonitrile CAS Name: 2-(5-nitro-1-imidazolyl)-2-phenylacetonitrile IUPAC Name: 2-(5-nitroimidazol-1-yl)-2-phenylacetonitrile Traditional Name: 2-(5-nitroimidazol-1-yl)-2-phenyl-acetonitrile Formula: C11H8N4O2 MolecularWeight: 228.20682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)N2C=NC=C2[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)N2C=NC=C2[N+](=O)[O-]

InChI

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