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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN1CCNC(=O)C1CC(=O)OCC(C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/N1CCNC(=O)C1CC(=O)OCC(C)C)/C#N

InChI

InChI=1S/C16H23N3O5/c1-4-23-16(22)12(8-17)9-19-6-5-18-15(21)13(19)7-14(20)24-10-11(2)3/h9,11,13H,4-7,10H2,1-3H3,(H,18,21)/b12-9+