[(1S,3R)-3-methylcyclohexyl] 4-nitrobenzoate

Systemtic Name: [(1S,3R)-3-methylcyclohexyl] 4-nitrobenzoate Openeye Name: [(1S,3R)-3-methylcyclohexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,3R)-3-methylcyclohexyl] ester IUPAC Name: [(1S,3R)-3-methylcyclohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,3R)-3-methylcyclohexyl] ester Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO4/c1-10-3-2-4-13(9-10)19-14(16)11-5-7-12(8-6-11)15(17)18/h5-8,10,13H,2-4,9H2,1H3/t10-,13+/m1/s1