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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-5-methyl-3-nitro-1,2,4-triazole Openeye Name: 1-[(4-chlorophenyl)methyl]-5-methyl-3-nitro-1,2,4-triazole CAS Name: 1-[(4-chlorophenyl)methyl]-5-methyl-3-nitro-1,2,4-triazole IUPAC Name: 1-[(4-chlorophenyl)methyl]-5-methyl-3-nitro-1,2,4-triazole Traditional Name: 1-(4-chlorobenzyl)-5-methyl-3-nitro-1,2,4-triazole Formula: C10H9ClN4O2 MolecularWeight: 252.65706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1CC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H9ClN4O2/c1-7-12-10(15(16)17)13-14(7)6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3