5-[(2,6-dimethylcyclohexyl)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole

Systemtic Name: 5-[(2,6-dimethylcyclohexyl)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole Openeye Name: 5-[(2,6-dimethylcyclohexyl)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole CAS Name: 5-[(2,6-dimethylcyclohexyl)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-[(2,6-dimethylcyclohexyl)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-[(2,6-dimethylcyclohexyl)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole Formula: C17H22N4O2 MolecularWeight: 314.38218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1CC2=NC(=NN2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCC(C1CC2=NC(=NN2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N4O2/c1-11-4-3-5-12(2)15(11)10-16-18-17(20-19-16)13-6-8-14(9-7-13)21(22)23/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,18,19,20)