7-[(1S,2S)-2-[3-(4-methoxy-3-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[(1S,2S)-2-[3-(4-methoxy-3-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[(1S,2S)-2-[3-(4-methoxy-3-nitro-phenyl)-3-oxo-prop-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[(1S,2S)-2-[3-(4-methoxy-3-nitrophenyl)-3-oxoprop-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[(1S,2S)-2-[3-(4-methoxy-3-nitrophenyl)-3-oxoprop-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[(1S,5S)-2-keto-5-[3-keto-3-(4-methoxy-3-nitro-phenyl)prop-1-enyl]cyclopentyl]enanthic acid Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2CCC(=O)C2CCCCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C=C[C@@H]2CCC(=O)[C@H]2CCCCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H27NO7/c1-30-21-13-10-16(14-18(21)23(28)29)19(24)11-8-15-9-12-20(25)17(15)6-4-2-3-5-7-22(26)27/h8,10-11,13-15,17H,2-7,9,12H2,1H3,(H,26,27)/t15-,17+/m1/s1