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

Systemtic Name: (1S,2S,4S)-4-(4-nitrophenyl)cyclohexane-1,2-dicarboxylate Openeye Name: (1S,2S,4S)-4-(4-nitrophenyl)cyclohexane-1,2-dicarboxylate CAS Name: (1S,2S,4S)-4-(4-nitrophenyl)cyclohexane-1,2-dicarboxylate IUPAC Name: (1S,2S,4S)-4-(4-nitrophenyl)cyclohexane-1,2-dicarboxylate Traditional Name: (1S,2S,4S)-4-(4-nitrophenyl)cyclohexane-1,2-dicarboxylate Formula: C14H13NO6-2 MolecularWeight: 291.25612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@@H]([C@H](C[C@H]1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H15NO6/c16-13(17)11-6-3-9(7-12(11)14(18)19)8-1-4-10(5-2-8)15(20)21/h1-2,4-5,9,11-12H,3,6-7H2,(H,16,17)(H,18,19)/p-2/t9-,11-,12-/m0/s1