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

Systemtic Name: 7-[2-[(E)-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-3-(3-nitrophenyl)-3-oxo-prop-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-3-(3-nitrophenyl)-3-oxoprop-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-3-(3-nitrophenyl)-3-oxoprop-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-keto-5-[(E)-3-keto-3-(3-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(=CC=C2)[N+](=O)[O-])CCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c23-19(16-6-5-7-17(14-16)22(27)28)12-10-15-11-13-20(24)18(15)8-3-1-2-4-9-21(25)26/h5-7,10,12,14-15,18H,1-4,8-9,11,13H2,(H,25,26)/b12-10+