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

Systemtic Name: 5-[(2-oxidanylideneazocan-1-yl)methyl]furan-2-carboxylate Openeye Name: 5-[(2-oxoazocan-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(2-oxo-1-azocanyl)methyl]-2-furancarboxylate IUPAC Name: 5-[(2-oxoazocan-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(2-ketoazocan-1-yl)methyl]-2-furoate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(C(=O)CC1)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

C1CCCN(C(=O)CC1)CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C13H17NO4/c15-12-5-3-1-2-4-8-14(12)9-10-6-7-11(18-10)13(16)17/h6-7H,1-5,8-9H2,(H,16,17)/p-1