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

Systemtic Name: 6-[2-(nitromethyl)-5-oxidanylidene-cyclopentyl]hex-4-ynoic acid Openeye Name: 6-[2-(nitromethyl)-5-oxo-cyclopentyl]hex-4-ynoic acid CAS Name: 6-[2-(nitromethyl)-5-oxocyclopentyl]-4-hexynoic acid IUPAC Name: 6-[2-(nitromethyl)-5-oxocyclopentyl]hex-4-ynoic acid Traditional Name: 6-[2-keto-5-(nitromethyl)cyclopentyl]hex-4-ynoic acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1C[N+](=O)[O-])CC#CCCC(=O)O

Isomeric SMILES

C1CC(=O)C(C1C[N+](=O)[O-])CC#CCCC(=O)O

InChI

InChI=1S/C12H15NO5/c14-11-7-6-9(8-13(17)18)10(11)4-2-1-3-5-12(15)16/h9-10H,3-8H2,(H,15,16)