O7-tert-butyl O2-methyl 4H-azepine-2,7-dicarboxylate

Systemtic Name: O7-tert-butyl O2-methyl 4H-azepine-2,7-dicarboxylate Openeye Name: O7-tert-butyl O2-methyl 4H-azepine-2,7-dicarboxylate CAS Name: 4H-azepine-2,7-dicarboxylic acid O7-tert-butyl ester O2-methyl ester IUPAC Name: 7-O-tert-butyl 2-O-methyl 4H-azepine-2,7-dicarboxylate Traditional Name: 4H-azepine-2,7-dicarboxylic acid O7-tert-butyl ester O2-methyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=NC(=CCC=C1)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=NC(=CCC=C1)C(=O)OC

InChI

InChI=1S/C13H17NO4/c1-13(2,3)18-12(16)10-8-6-5-7-9(14-10)11(15)17-4/h6-8H,5H2,1-4H3