2-(4-methylphenyl)-4,7-dinitroso-1,3,5,6-tetrahydrobenzotriazole

Systemtic Name: 2-(4-methylphenyl)-4,7-dinitroso-1,3,5,6-tetrahydrobenzotriazole Openeye Name: 4,7-dinitroso-2-(p-tolyl)-1,3,5,6-tetrahydrobenzotriazole CAS Name: 2-(4-methylphenyl)-4,7-dinitroso-1,3,5,6-tetrahydrobenzotriazole IUPAC Name: 2-(4-methylphenyl)-4,7-dinitroso-1,3,5,6-tetrahydrobenzotriazole Traditional Name: 4,7-dinitroso-2-(p-tolyl)-1,3,5,6-tetrahydrobenzotriazole Formula: C13H13N5O2 MolecularWeight: 271.27462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2NC3=C(CCC(=C3N2)N=O)N=O

Isomeric SMILES

CC1=CC=C(C=C1)N2NC3=C(CCC(=C3N2)N=O)N=O

InChI

InChI=1S/C13H13N5O2/c1-8-2-4-9(5-3-8)18-14-12-10(16-19)6-7-11(17-20)13(12)15-18/h2-5,14-15H,6-7H2,1H3