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

Systemtic Name: 5-bromanyl-1-[(4-methylphenyl)methyl]-3-nitro-1,2,4-triazole Openeye Name: 5-bromo-3-nitro-1-(p-tolylmethyl)-1,2,4-triazole CAS Name: 5-bromo-1-[(4-methylphenyl)methyl]-3-nitro-1,2,4-triazole IUPAC Name: 5-bromo-1-[(4-methylphenyl)methyl]-3-nitro-1,2,4-triazole Traditional Name: 5-bromo-1-(4-methylbenzyl)-3-nitro-1,2,4-triazole Formula: C10H9BrN4O2 MolecularWeight: 297.10806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9BrN4O2/c1-7-2-4-8(5-3-7)6-14-9(11)12-10(13-14)15(16)17/h2-5H,6H2,1H3