1-[(3-methylphenyl)methyl]-3-nitro-1,2,4-triazole

Systemtic Name: 1-[(3-methylphenyl)methyl]-3-nitro-1,2,4-triazole Openeye Name: 1-(m-tolylmethyl)-3-nitro-1,2,4-triazole CAS Name: 1-[(3-methylphenyl)methyl]-3-nitro-1,2,4-triazole IUPAC Name: 1-[(3-methylphenyl)methyl]-3-nitro-1,2,4-triazole Traditional Name: 1-(3-methylbenzyl)-3-nitro-1,2,4-triazole Formula: C10H10N4O2 MolecularWeight: 218.212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C10H10N4O2/c1-8-3-2-4-9(5-8)6-13-7-11-10(12-13)14(15)16/h2-5,7H,6H2,1H3