[(1S,2R)-2-ethoxycarbonylcyclohexyl] 3,5-dinitrobenzoate

Systemtic Name: [(1S,2R)-2-ethoxycarbonylcyclohexyl] 3,5-dinitrobenzoate Openeye Name: [(1S,2R)-2-ethoxycarbonylcyclohexyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1S,2R)-2-ethoxycarbonylcyclohexyl] ester IUPAC Name: [(1S,2R)-2-ethoxycarbonylcyclohexyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1S,2R)-2-carbethoxycyclohexyl] ester Formula: C16H18N2O8 MolecularWeight: 366.32272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCC1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O8/c1-2-25-16(20)13-5-3-4-6-14(13)26-15(19)10-7-11(17(21)22)9-12(8-10)18(23)24/h7-9,13-14H,2-6H2,1H3/t13-,14+/m1/s1