2-methyl-1-[(4-methylphenyl)methyl]-5-nitro-imidazole

Systemtic Name: 2-methyl-1-[(4-methylphenyl)methyl]-5-nitro-imidazole Openeye Name: 2-methyl-5-nitro-1-(p-tolylmethyl)imidazole CAS Name: 2-methyl-1-[(4-methylphenyl)methyl]-5-nitroimidazole IUPAC Name: 2-methyl-1-[(4-methylphenyl)methyl]-5-nitroimidazole Traditional Name: 2-methyl-1-(4-methylbenzyl)-5-nitro-imidazole Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NC=C2[N+](=O)[O-])C

InChI

InChI=1S/C12H13N3O2/c1-9-3-5-11(6-4-9)8-14-10(2)13-7-12(14)15(16)17/h3-7H,8H2,1-2H3