7-[(1S,2S)-2-[2-(2-methyl-4-nitro-phenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[(1S,2S)-2-[2-(2-methyl-4-nitro-phenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[(1S,2S)-2-[2-(2-methyl-4-nitro-phenyl)vinyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[(1S,2S)-2-[2-(2-methyl-4-nitrophenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[(1S,2S)-2-[2-(2-methyl-4-nitrophenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[(1S,5S)-2-keto-5-[2-(2-methyl-4-nitro-phenyl)vinyl]cyclopentyl]enanthic acid Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])C=C[C@@H]2CCC(=O)[C@H]2CCCCCCC(=O)O

InChI

InChI=1S/C21H27NO5/c1-15-14-18(22(26)27)12-10-16(15)8-9-17-11-13-20(23)19(17)6-4-2-3-5-7-21(24)25/h8-10,12,14,17,19H,2-7,11,13H2,1H3,(H,24,25)/t17-,19+/m1/s1