dimethyl 4-cyano-2,7-dimethyl-4,5-dihydro-1H-azepine-3,6-dicarboxylate

Systemtic Name: dimethyl 4-cyano-2,7-dimethyl-4,5-dihydro-1H-azepine-3,6-dicarboxylate Openeye Name: dimethyl 4-cyano-2,7-dimethyl-4,5-dihydro-1H-azepine-3,6-dicarboxylate CAS Name: 4-cyano-2,7-dimethyl-4,5-dihydro-1H-azepine-3,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-cyano-2,7-dimethyl-4,5-dihydro-1H-azepine-3,6-dicarboxylate Traditional Name: 4-cyano-2,7-dimethyl-4,5-dihydro-1H-azepine-3,6-dicarboxylic acid dimethyl ester Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(=C(N1)C)C(=O)OC)C#N)C(=O)OC

Isomeric SMILES

CC1=C(CC(C(=C(N1)C)C(=O)OC)C#N)C(=O)OC

InChI

InChI=1S/C13H16N2O4/c1-7-10(12(16)18-3)5-9(6-14)11(8(2)15-7)13(17)19-4/h9,15H,5H2,1-4H3