(5-methyl-2-propan-2-yl-cyclohexyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C17H27N3O4 MolecularWeight: 337.41398

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(C)C

InChI

InChI=1S/C17H27N3O4/c1-10(2)14-7-6-11(3)8-15(14)24-16(21)9-19-13(5)17(20(22)23)12(4)18-19/h10-11,14-15H,6-9H2,1-5H3