ethyl 4-(1-azanyl-1-oxidanylidene-butan-2-yl)-5-oxidanylidene-azepane-4-carboxylate

Systemtic Name: ethyl 4-(1-azanyl-1-oxidanylidene-butan-2-yl)-5-oxidanylidene-azepane-4-carboxylate Openeye Name: ethyl 4-(1-carbamoylpropyl)-5-oxo-azepane-4-carboxylate CAS Name: 4-(1-amino-1-oxobutan-2-yl)-5-oxo-4-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-amino-1-oxobutan-2-yl)-5-oxoazepane-4-carboxylate Traditional Name: 4-(1-carbamoylpropyl)-5-keto-azepane-4-carboxylic acid ethyl ester Formula: C13H22N2O4 MolecularWeight: 270.32478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)C1(CCNCCC1=O)C(=O)OCC

Isomeric SMILES

CCC(C(=O)N)C1(CCNCCC1=O)C(=O)OCC

InChI

InChI=1S/C13H22N2O4/c1-3-9(11(14)17)13(12(18)19-4-2)6-8-15-7-5-10(13)16/h9,15H,3-8H2,1-2H3,(H2,14,17)