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

Systemtic Name: 7-[2-[(E)-3-(2-chloranyl-5-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-3-(2-chloro-5-nitro-phenyl)-3-oxo-prop-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-3-(2-chloro-5-nitrophenyl)-3-oxoprop-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-3-(2-chloro-5-nitrophenyl)-3-oxoprop-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(E)-3-(2-chloro-5-nitro-phenyl)-3-keto-prop-1-enyl]-5-keto-cyclopentyl]enanthic acid Formula: C21H24ClNO6 MolecularWeight: 421.87136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO6/c22-18-10-9-15(23(28)29)13-17(18)20(25)12-8-14-7-11-19(24)16(14)5-3-1-2-4-6-21(26)27/h8-10,12-14,16H,1-7,11H2,(H,26,27)/b12-8+