dimethyl (1S,2S,4R)-2-(4-nitrophenyl)cyclohexane-1,4-dicarboxylate

Systemtic Name: dimethyl (1S,2S,4R)-2-(4-nitrophenyl)cyclohexane-1,4-dicarboxylate Openeye Name: dimethyl (1S,2S,4R)-2-(4-nitrophenyl)cyclohexane-1,4-dicarboxylate CAS Name: (1S,2S,4R)-2-(4-nitrophenyl)cyclohexane-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,2S,4R)-2-(4-nitrophenyl)cyclohexane-1,4-dicarboxylate Traditional Name: (1S,2S,4R)-2-(4-nitrophenyl)cyclohexane-1,4-dicarboxylic acid dimethyl ester Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO6/c1-22-15(18)11-5-8-13(16(19)23-2)14(9-11)10-3-6-12(7-4-10)17(20)21/h3-4,6-7,11,13-14H,5,8-9H2,1-2H3/t11-,13+,14-/m1/s1