tert-butyl 2-oxidanylidene-4,7,8,8a-tetrahydrofuro[2,3-e][1,2]oxazepine-6-carboxylate

Systemtic Name: tert-butyl 2-oxidanylidene-4,7,8,8a-tetrahydrofuro[2,3-e][1,2]oxazepine-6-carboxylate Openeye Name: tert-butyl 2-oxo-4,7,8,8a-tetrahydrofuro[2,3-e]oxazepine-6-carboxylate CAS Name: 2-oxo-4,7,8,8a-tetrahydrofuro[2,3-e]oxazepine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-oxo-4,7,8,8a-tetrahydrofuro[2,3-e]oxazepine-6-carboxylate Traditional Name: 2-keto-4,7,8,8a-tetrahydrofuro[2,3-e]oxazepine-6-carboxylic acid tert-butyl ester Formula: C12H17NO5 MolecularWeight: 255.26708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2C(=CC(=O)O2)CO1

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2C(=CC(=O)O2)CO1

InChI

InChI=1S/C12H17NO5/c1-12(2,3)18-11(15)13-5-4-9-8(7-16-13)6-10(14)17-9/h6,9H,4-5,7H2,1-3H3