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

Systemtic Name: ethyl (E)-3-[2-(2-butan-2-yloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[3-oxo-2-(2-oxo-2-sec-butoxy-ethyl)piperazin-1-yl]prop-2-enoate CAS Name: (E)-3-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxo-1-piperazinyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazin-1-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-2-cyano-3-[3-keto-2-(2-keto-2-sec-butoxy-ethyl)piperazino]acrylic acid ethyl ester Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C=C(C#N)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5/c1-4-11(3)24-14(20)8-13-15(21)18-6-7-19(13)10-12(9-17)16(22)23-5-2/h10-11,13H,4-8H2,1-3H3,(H,18,21)/b12-10+