methyl (E)-8-[(1R,2S)-2-(nitromethyl)-5-oxidanylidene-cyclopentyl]oct-4-enoate

Systemtic Name: methyl (E)-8-[(1R,2S)-2-(nitromethyl)-5-oxidanylidene-cyclopentyl]oct-4-enoate Openeye Name: methyl (E)-8-[(1R,2S)-2-(nitromethyl)-5-oxo-cyclopentyl]oct-4-enoate CAS Name: (E)-8-[(1R,2S)-2-(nitromethyl)-5-oxocyclopentyl]-4-octenoic acid methyl ester IUPAC Name: methyl (E)-8-[(1R,2S)-2-(nitromethyl)-5-oxocyclopentyl]oct-4-enoate Traditional Name: (E)-8-[(1R,5S)-2-keto-5-(nitromethyl)cyclopentyl]oct-4-enoic acid methyl ester Formula: C15H23NO5 MolecularWeight: 297.34682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC=CCCCC1C(CCC1=O)C[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC/C=C/CCC[C@@H]1[C@H](CCC1=O)C[N+](=O)[O-]

InChI

InChI=1S/C15H23NO5/c1-21-15(18)8-6-4-2-3-5-7-13-12(11-16(19)20)9-10-14(13)17/h2,4,12-13H,3,5-11H2,1H3/b4-2+/t12-,13-/m1/s1