7-[2-[(E)-3-(3,5-dinitrophenyl)-3-oxidanylidene-prop-1-enyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[(E)-3-(3,5-dinitrophenyl)-3-oxidanylidene-prop-1-enyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-3-(3,5-dinitrophenyl)-3-oxo-prop-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-3-(3,5-dinitrophenyl)-3-oxoprop-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-3-(3,5-dinitrophenyl)-3-oxoprop-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(E)-3-(3,5-dinitrophenyl)-3-keto-prop-1-enyl]-5-keto-cyclopentyl]enanthic acid Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1C=CC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])CCCCCCC(=O)O

Isomeric SMILES

C1CC(=O)C(C1/C=C/C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])CCCCCCC(=O)O

InChI

InChI=1S/C21H24N2O8/c24-19(15-11-16(22(28)29)13-17(12-15)23(30)31)9-7-14-8-10-20(25)18(14)5-3-1-2-4-6-21(26)27/h7,9,11-14,18H,1-6,8,10H2,(H,26,27)/b9-7+