(E)-7-[3-(3,5-dinitrophenyl)carbonyloxy-2-methanoyl-5-oxidanyl-cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[3-(3,5-dinitrophenyl)carbonyloxy-2-methanoyl-5-oxidanyl-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[3-(3,5-dinitrobenzoyl)oxy-2-formyl-5-hydroxy-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[3-[(3,5-dinitrophenyl)-oxomethoxy]-2-formyl-5-hydroxycyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[3-(3,5-dinitrobenzoyl)oxy-2-formyl-5-hydroxycyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[3-(3,5-dinitrobenzoyl)oxy-2-formyl-5-hydroxy-cyclopentyl]hept-5-enoic acid Formula: C20H22N2O10 MolecularWeight: 450.39608

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C=O)CC=CCCCC(=O)O)O

Isomeric SMILES

C1C(C(C(C1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C=O)C/C=C/CCCC(=O)O)O

InChI

InChI=1S/C20H22N2O10/c23-11-16-15(5-3-1-2-4-6-19(25)26)17(24)10-18(16)32-20(27)12-7-13(21(28)29)9-14(8-12)22(30)31/h1,3,7-9,11,15-18,24H,2,4-6,10H2,(H,25,26)/b3-1+