(1S,2R)-2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[(4,5-dimethoxy-2-nitrophenyl)methoxy-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-(4,5-dimethoxy-2-nitro-benzyl)oxycarbonylcyclohexanecarboxylic acid Formula: C17H21NO8 MolecularWeight: 367.35054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)C2CCCCC2C(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C17H21NO8/c1-24-14-7-10(13(18(22)23)8-15(14)25-2)9-26-17(21)12-6-4-3-5-11(12)16(19)20/h7-8,11-12H,3-6,9H2,1-2H3,(H,19,20)/t11-,12+/m0/s1