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

Systemtic Name: 7-[2-[(E)-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-3-(4-methyl-3-nitro-phenyl)-3-oxo-prop-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-3-(4-methyl-3-nitrophenyl)-3-oxoprop-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-3-(4-methyl-3-nitrophenyl)-3-oxoprop-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-keto-5-[(E)-3-keto-3-(4-methyl-3-nitro-phenyl)prop-1-enyl]cyclopentyl]enanthic acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=CC2CCC(=O)C2CCCCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)/C=C/C2CCC(=O)C2CCCCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H27NO6/c1-15-8-9-17(14-19(15)23(28)29)20(24)12-10-16-11-13-21(25)18(16)6-4-2-3-5-7-22(26)27/h8-10,12,14,16,18H,2-7,11,13H2,1H3,(H,26,27)/b12-10+