O1-tert-butyl O6-ethyl 3,3-dimethyl-4-oxidanylidene-2,5-dihydroazepine-1,6-dicarboxylate

Systemtic Name: O1-tert-butyl O6-ethyl 3,3-dimethyl-4-oxidanylidene-2,5-dihydroazepine-1,6-dicarboxylate Openeye Name: O1-tert-butyl O6-ethyl 3,3-dimethyl-4-oxo-2,5-dihydroazepine-1,6-dicarboxylate CAS Name: 3,3-dimethyl-4-oxo-2,5-dihydroazepine-1,6-dicarboxylic acid O1-tert-butyl ester O6-ethyl ester IUPAC Name: 1-O-tert-butyl 6-O-ethyl 3,3-dimethyl-4-oxo-2,5-dihydroazepine-1,6-dicarboxylate Traditional Name: 4-keto-3,3-dimethyl-2,5-dihydroazepine-1,6-dicarboxylic acid O1-tert-butyl ester O6-ethyl ester Formula: C16H25NO5 MolecularWeight: 311.3734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C(=O)C1)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN(CC(C(=O)C1)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H25NO5/c1-7-21-13(19)11-8-12(18)16(5,6)10-17(9-11)14(20)22-15(2,3)4/h9H,7-8,10H2,1-6H3