(4-ethyl-2,6-dimethyl-cyclohexyl) 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethanoate

Systemtic Name: (4-ethyl-2,6-dimethyl-cyclohexyl) 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethanoate Openeye Name: (4-ethyl-2,6-dimethyl-cyclohexyl) 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetate CAS Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetic acid (4-ethyl-2,6-dimethylcyclohexyl) ester IUPAC Name: (4-ethyl-2,6-dimethylcyclohexyl) 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetate Traditional Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetic acid (4-ethyl-2,6-dimethyl-cyclohexyl) ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4/c1-4-14-8-12(2)19(13(3)9-14)28-18(25)11-17-21-20(23-22-17)15-6-5-7-16(10-15)24(26)27/h5-7,10,12-14,19H,4,8-9,11H2,1-3H3,(H,21,22,23)