N-(2-methylcyclohexyl)-2-(2-methylphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine

Systemtic Name: N-(2-methylcyclohexyl)-2-(2-methylphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: 3-hydroxy-N-(2-methylcyclohexyl)-5-nitro-2-(o-tolyl)triazol-4-imine CAS Name: 3-hydroxy-N-(2-methylcyclohexyl)-2-(2-methylphenyl)-5-nitro-4-triazolimine IUPAC Name: 3-hydroxy-N-(2-methylcyclohexyl)-2-(2-methylphenyl)-5-nitrotriazol-4-imine Traditional Name: [3-hydroxy-5-nitro-2-(o-tolyl)triazol-4-ylidene]-(2-methylcyclohexyl)amine Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N=C2C(=NN(N2O)C3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCC1N=C2C(=NN(N2O)C3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O3/c1-11-7-3-5-9-13(11)17-15-16(21(23)24)18-19(20(15)22)14-10-6-4-8-12(14)2/h4,6,8,10-11,13,22H,3,5,7,9H2,1-2H3