[(1R,4R)-4-oxidanylcyclohex-2-en-1-yl] 3,5-dinitrobenzoate

Systemtic Name: [(1R,4R)-4-oxidanylcyclohex-2-en-1-yl] 3,5-dinitrobenzoate Openeye Name: [(1R,4R)-4-hydroxycyclohex-2-en-1-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1R,4R)-4-hydroxy-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,4R)-4-hydroxycyclohex-2-en-1-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R,4R)-4-hydroxycyclohex-2-en-1-yl] ester Formula: C13H12N2O7 MolecularWeight: 308.24358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=CC1O)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O7/c16-11-1-3-12(4-2-11)22-13(17)8-5-9(14(18)19)7-10(6-8)15(20)21/h1,3,5-7,11-12,16H,2,4H2/t11-,12-/m0/s1