methyl (1R,3R,4S)-3-(4-nitrophenyl)-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,3R,4S)-3-(4-nitrophenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl (1R,3R,4S)-4-hydroxy-3-(4-nitrophenyl)cyclohexanecarboxylate CAS Name: (1R,3R,4S)-4-hydroxy-3-(4-nitrophenyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,3R,4S)-4-hydroxy-3-(4-nitrophenyl)cyclohexane-1-carboxylate Traditional Name: (1R,3R,4S)-4-hydroxy-3-(4-nitrophenyl)cyclohexanecarboxylic acid methyl ester Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(C(C1)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-20-14(17)10-4-7-13(16)12(8-10)9-2-5-11(6-3-9)15(18)19/h2-3,5-6,10,12-13,16H,4,7-8H2,1H3/t10-,12-,13+/m1/s1