2-[(2-methyl-5-nitro-imidazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(2-methyl-5-nitro-imidazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(2-methyl-5-nitro-imidazol-1-yl)methyl]benzonitrile CAS Name: 2-[(2-methyl-5-nitro-1-imidazolyl)methyl]benzonitrile IUPAC Name: 2-[(2-methyl-5-nitroimidazol-1-yl)methyl]benzonitrile Traditional Name: 2-[(2-methyl-5-nitro-imidazol-1-yl)methyl]benzonitrile Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC2=CC=CC=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC2=CC=CC=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O2/c1-9-14-7-12(16(17)18)15(9)8-11-5-3-2-4-10(11)6-13/h2-5,7H,8H2,1H3