methyl (1S,2S,4R)-2-(4-nitrophenyl)-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2S,4R)-2-(4-nitrophenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2S,4R)-4-hydroxy-2-(4-nitrophenyl)cyclohexanecarboxylate CAS Name: (1S,2S,4R)-4-hydroxy-2-(4-nitrophenyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S,4R)-4-hydroxy-2-(4-nitrophenyl)cyclohexane-1-carboxylate Traditional Name: (1S,2S,4R)-4-hydroxy-2-(4-nitrophenyl)cyclohexanecarboxylic acid methyl ester Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

COC(=O)[C@H]1CC[C@H](C[C@@H]1C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H17NO5/c1-20-14(17)12-7-6-11(16)8-13(12)9-2-4-10(5-3-9)15(18)19/h2-5,11-13,16H,6-8H2,1H3/t11-,12+,13-/m1/s1