ethyl 5-[(2-oxidanylideneazepan-3-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-[(2-oxidanylideneazepan-3-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-[(2-oxoazepan-3-yl)methyl]-4,5-dihydroisoxazole-3-carboxylate CAS Name: 5-[(2-oxo-3-azepanyl)methyl]-4,5-dihydroisoxazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-oxoazepan-3-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate Traditional Name: 5-[(2-ketoazepan-3-yl)methyl]-2-isoxazoline-3-carboxylic acid ethyl ester Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(C1)CC2CCCCNC2=O

Isomeric SMILES

CCOC(=O)C1=NOC(C1)CC2CCCCNC2=O

InChI

InChI=1S/C13H20N2O4/c1-2-18-13(17)11-8-10(19-15-11)7-9-5-3-4-6-14-12(9)16/h9-10H,2-8H2,1H3,(H,14,16)