ethyl 4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)azepane-1-carboxylate

Systemtic Name: ethyl 4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)azepane-1-carboxylate Openeye Name: ethyl 4-(1-cyano-2-ethoxy-2-oxo-ethyl)azepane-1-carboxylate CAS Name: 4-(1-cyano-2-ethoxy-2-oxoethyl)-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-cyano-2-ethoxy-2-oxoethyl)azepane-1-carboxylate Traditional Name: 4-(1-cyano-2-ethoxy-2-keto-ethyl)azepane-1-carboxylic acid ethyl ester Formula: C14H22N2O4 MolecularWeight: 282.33548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1CCCN(CC1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C#N)C1CCCN(CC1)C(=O)OCC

InChI

InChI=1S/C14H22N2O4/c1-3-19-13(17)12(10-15)11-6-5-8-16(9-7-11)14(18)20-4-2/h11-12H,3-9H2,1-2H3