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

Systemtic Name: 5-[(4-ethyl-2,6-dimethyl-cyclohexyl)methyl]-3-(3-nitrophenyl)-1H-1,2,4-triazole Openeye Name: 5-[(4-ethyl-2,6-dimethyl-cyclohexyl)methyl]-3-(3-nitrophenyl)-1H-1,2,4-triazole CAS Name: 5-[(4-ethyl-2,6-dimethylcyclohexyl)methyl]-3-(3-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-[(4-ethyl-2,6-dimethylcyclohexyl)methyl]-3-(3-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-[(4-ethyl-2,6-dimethyl-cyclohexyl)methyl]-3-(3-nitrophenyl)-1H-1,2,4-triazole Formula: C19H26N4O2 MolecularWeight: 342.43534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C(C(C1)C)CC2=NC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1CC(C(C(C1)C)CC2=NC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H26N4O2/c1-4-14-8-12(2)17(13(3)9-14)11-18-20-19(22-21-18)15-6-5-7-16(10-15)23(24)25/h5-7,10,12-14,17H,4,8-9,11H2,1-3H3,(H,20,21,22)