O2-tert-butyl O7-methyl 4-cyano-4,5-dihydro-1H-azepine-2,7-dicarboxylate

Systemtic Name: O2-tert-butyl O7-methyl 4-cyano-4,5-dihydro-1H-azepine-2,7-dicarboxylate Openeye Name: O2-tert-butyl O7-methyl 4-cyano-4,5-dihydro-1H-azepine-2,7-dicarboxylate CAS Name: 4-cyano-4,5-dihydro-1H-azepine-2,7-dicarboxylic acid O2-tert-butyl ester O7-methyl ester IUPAC Name: 2-O-tert-butyl 7-O-methyl 4-cyano-4,5-dihydro-1H-azepine-2,7-dicarboxylate Traditional Name: 4-cyano-4,5-dihydro-1H-azepine-2,7-dicarboxylic acid O2-tert-butyl ester O7-methyl ester Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(CC=C(N1)C(=O)OC)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(CC=C(N1)C(=O)OC)C#N

InChI

InChI=1S/C14H18N2O4/c1-14(2,3)20-13(18)11-7-9(8-15)5-6-10(16-11)12(17)19-4/h6-7,9,16H,5H2,1-4H3