5-[(2-oxidanylideneazepan-1-yl)methyl]furan-2-carboxylate

Systemtic Name: 5-[(2-oxidanylideneazepan-1-yl)methyl]furan-2-carboxylate Openeye Name: 5-[(2-oxoazepan-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(2-oxo-1-azepanyl)methyl]-2-furancarboxylate IUPAC Name: 5-[(2-oxoazepan-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(2-ketoazepan-1-yl)methyl]-2-furoate Formula: C12H14NO4- MolecularWeight: 236.24386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=CC=C(O2)C(=O)[O-]

InChI

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