2-[(2-oxidanylideneazepan-1-yl)methyl]furan-3-carboxylic acid

Systemtic Name: 2-[(2-oxidanylideneazepan-1-yl)methyl]furan-3-carboxylic acid Openeye Name: 2-[(2-oxoazepan-1-yl)methyl]furan-3-carboxylic acid CAS Name: 2-[(2-oxo-1-azepanyl)methyl]-3-furancarboxylic acid IUPAC Name: 2-[(2-oxoazepan-1-yl)methyl]furan-3-carboxylic acid Traditional Name: 2-[(2-ketoazepan-1-yl)methyl]-3-furoic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=C(C=CO2)C(=O)O

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=C(C=CO2)C(=O)O

InChI

InChI=1S/C12H15NO4/c14-11-4-2-1-3-6-13(11)8-10-9(12(15)16)5-7-17-10/h5,7H,1-4,6,8H2,(H,15,16)