5-nitro-3-(phenylmethyl)imidazole-4-carbonitrile

Systemtic Name: 5-nitro-3-(phenylmethyl)imidazole-4-carbonitrile Openeye Name: 3-benzyl-5-nitro-imidazole-4-carbonitrile CAS Name: 5-nitro-3-(phenylmethyl)-4-imidazolecarbonitrile IUPAC Name: 3-benzyl-5-nitroimidazole-4-carbonitrile Traditional Name: 3-benzyl-5-nitro-imidazole-4-carbonitrile Formula: C11H8N4O2 MolecularWeight: 228.20682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=C2C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=C2C#N)[N+](=O)[O-]

InChI

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