2-ethyl-6-[2-(nitromethyl)-5-oxidanylidene-cyclopentyl]hex-4-ynoic acid

Systemtic Name: 2-ethyl-6-[2-(nitromethyl)-5-oxidanylidene-cyclopentyl]hex-4-ynoic acid Openeye Name: 2-ethyl-6-[2-(nitromethyl)-5-oxo-cyclopentyl]hex-4-ynoic acid CAS Name: 2-ethyl-6-[2-(nitromethyl)-5-oxocyclopentyl]-4-hexynoic acid IUPAC Name: 2-ethyl-6-[2-(nitromethyl)-5-oxocyclopentyl]hex-4-ynoic acid Traditional Name: 2-ethyl-6-[2-keto-5-(nitromethyl)cyclopentyl]hex-4-ynoic acid Formula: C14H19NO5 MolecularWeight: 281.30436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#CCC1C(CCC1=O)C[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(CC#CCC1C(CCC1=O)C[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H19NO5/c1-2-10(14(17)18)5-3-4-6-12-11(9-15(19)20)7-8-13(12)16/h10-12H,2,5-9H2,1H3,(H,17,18)