3-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 3-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 3-[(2,7-dioxoazepan-1-yl)methyl]furan-2-carboxylic acid CAS Name: 3-[(2,7-dioxo-1-azepanyl)methyl]-2-furancarboxylic acid IUPAC Name: 3-[(2,7-dioxoazepan-1-yl)methyl]furan-2-carboxylic acid Traditional Name: 3-[(2,7-diketoazepan-1-yl)methyl]-2-furoic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)CC2=C(OC=C2)C(=O)O

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)CC2=C(OC=C2)C(=O)O

InChI

InChI=1S/C12H13NO5/c14-9-3-1-2-4-10(15)13(9)7-8-5-6-18-11(8)12(16)17/h5-6H,1-4,7H2,(H,16,17)