5-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[(2,7-dioxoazepan-1-yl)methyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[(2,7-dioxo-1-azepanyl)methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[(2,7-dioxoazepan-1-yl)methyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[(2,7-diketoazepan-1-yl)methyl]-2-methyl-3-furoic acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN2C(=O)CCCCC2=O)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CN2C(=O)CCCCC2=O)C(=O)O

InChI

InChI=1S/C13H15NO5/c1-8-10(13(17)18)6-9(19-8)7-14-11(15)4-2-3-5-12(14)16/h6H,2-5,7H2,1H3,(H,17,18)