methyl 3-[[(2-oxidanylideneazepan-3-yl)amino]methyl]furan-2-carboxylate

Systemtic Name: methyl 3-[[(2-oxidanylideneazepan-3-yl)amino]methyl]furan-2-carboxylate Openeye Name: methyl 3-[[(2-oxoazepan-3-yl)amino]methyl]furan-2-carboxylate CAS Name: 3-[[(2-oxo-3-azepanyl)amino]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[(2-oxoazepan-3-yl)amino]methyl]furan-2-carboxylate Traditional Name: 3-[[(2-ketoazepan-3-yl)amino]methyl]furan-2-carboxylic acid methyl ester Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CNC2CCCCNC2=O

Isomeric SMILES

COC(=O)C1=C(C=CO1)CNC2CCCCNC2=O

InChI

InChI=1S/C13H18N2O4/c1-18-13(17)11-9(5-7-19-11)8-15-10-4-2-3-6-14-12(10)16/h5,7,10,15H,2-4,6,8H2,1H3,(H,14,16)