[5-(2-fluoranylpropan-2-yl)-2-methyl-cyclohexyl] 4-nitrobenzoate

Systemtic Name: [5-(2-fluoranylpropan-2-yl)-2-methyl-cyclohexyl] 4-nitrobenzoate Openeye Name: [5-(1-fluoro-1-methyl-ethyl)-2-methyl-cyclohexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-(2-fluoropropan-2-yl)-2-methylcyclohexyl] ester IUPAC Name: [5-(2-fluoropropan-2-yl)-2-methylcyclohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-(1-fluoro-1-methyl-ethyl)-2-methyl-cyclohexyl] ester Formula: C17H22FNO4 MolecularWeight: 323.359283

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)F

Isomeric SMILES

CC1CCC(CC1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)F

InChI

InChI=1S/C17H22FNO4/c1-11-4-7-13(17(2,3)18)10-15(11)23-16(20)12-5-8-14(9-6-12)19(21)22/h5-6,8-9,11,13,15H,4,7,10H2,1-3H3