7-[2-[(E)-3-(4-nitrophenyl)-3-oxidanylidene-prop-1-enyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[(E)-3-(4-nitrophenyl)-3-oxidanylidene-prop-1-enyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-3-(4-nitrophenyl)-3-oxo-prop-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-keto-5-[(E)-3-keto-3-(4-nitrophenyl)prop-1-enyl]cyclopentyl]enanthic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c23-19(16-7-11-17(12-8-16)22(27)28)13-9-15-10-14-20(24)18(15)5-3-1-2-4-6-21(25)26/h7-9,11-13,15,18H,1-6,10,14H2,(H,25,26)/b13-9+