ethyl (2E)-2-(azepan-2-ylidene)-3-oxidanylidene-hexanoate

Systemtic Name: ethyl (2E)-2-(azepan-2-ylidene)-3-oxidanylidene-hexanoate Openeye Name: ethyl (2E)-2-(azepan-2-ylidene)-3-oxo-hexanoate CAS Name: (2E)-2-(2-azepanylidene)-3-oxohexanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-(azepan-2-ylidene)-3-oxohexanoate Traditional Name: (2E)-2-(azepan-2-ylidene)-3-keto-hexanoic acid ethyl ester Formula: C14H23NO3 MolecularWeight: 253.33732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(=C1CCCCCN1)C(=O)OCC

Isomeric SMILES

CCCC(=O)/C(=C\1/CCCCCN1)/C(=O)OCC

InChI

InChI=1S/C14H23NO3/c1-3-8-12(16)13(14(17)18-4-2)11-9-6-5-7-10-15-11/h15H,3-10H2,1-2H3/b13-11+