(2,6-ditert-butyl-4-methyl-cyclohexyl) 2-[3-(4-methyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]-2-oxidanylidene-ethanoate

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-[3-(4-methyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]-2-oxidanylidene-ethanoate Openeye Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-[3-(4-methyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]-2-oxo-acetate CAS Name: 2-[3-(4-methyl-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-2-oxoacetic acid (2,6-ditert-butyl-4-methylcyclohexyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylcyclohexyl) 2-[3-(4-methyl-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-2-oxoacetate Traditional Name: 2-keto-2-[3-(4-methyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]acetic acid (2,6-ditert-butyl-4-methyl-cyclohexyl) ester Formula: C26H36N4O5 MolecularWeight: 484.58784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C(=O)C2=NC(=NN2)C3=CC(=C(C=C3)C)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C(=O)C2=NC(=NN2)C3=CC(=C(C=C3)C)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C26H36N4O5/c1-14-11-17(25(3,4)5)21(18(12-14)26(6,7)8)35-24(32)20(31)23-27-22(28-29-23)16-10-9-15(2)19(13-16)30(33)34/h9-10,13-14,17-18,21H,11-12H2,1-8H3,(H,27,28,29)