methyl (E)-2-cyano-3-[3-oxidanylidene-2-(2-oxidanylidene-2-pentoxy-ethyl)piperazin-1-yl]prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[3-oxidanylidene-2-(2-oxidanylidene-2-pentoxy-ethyl)piperazin-1-yl]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[3-oxo-2-(2-oxo-2-pentoxy-ethyl)piperazin-1-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-oxo-2-(2-oxo-2-pentoxyethyl)-1-piperazinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[3-oxo-2-(2-oxo-2-pentoxyethyl)piperazin-1-yl]prop-2-enoate Traditional Name: (E)-3-[2-(2-amoxy-2-keto-ethyl)-3-keto-piperazino]-2-cyano-acrylic acid methyl ester Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C=C(C#N)C(=O)OC

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C16H23N3O5/c1-3-4-5-8-24-14(20)9-13-15(21)18-6-7-19(13)11-12(10-17)16(22)23-2/h11,13H,3-9H2,1-2H3,(H,18,21)/b12-11+