1-[2-(furan-2-yl)-2-oxidanylidene-ethanoyl]azepane-2-carboxylic acid

Systemtic Name: 1-[2-(furan-2-yl)-2-oxidanylidene-ethanoyl]azepane-2-carboxylic acid Openeye Name: 1-[2-(2-furyl)-2-oxo-acetyl]azepane-2-carboxylic acid CAS Name: 1-[2-(2-furanyl)-1,2-dioxoethyl]-2-azepanecarboxylic acid IUPAC Name: 1-[2-(furan-2-yl)-2-oxoacetyl]azepane-2-carboxylic acid Traditional Name: 1-[2-(2-furyl)-2-keto-acetyl]azepane-2-carboxylic acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C(=O)C(=O)C2=CC=CO2)C(=O)O

Isomeric SMILES

C1CCC(N(CC1)C(=O)C(=O)C2=CC=CO2)C(=O)O

InChI

InChI=1S/C13H15NO5/c15-11(10-6-4-8-19-10)12(16)14-7-3-1-2-5-9(14)13(17)18/h4,6,8-9H,1-3,5,7H2,(H,17,18)