(E)-4-[2-(2-butan-2-yloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[2-(2-butan-2-yloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-oxo-4-[3-oxo-2-(2-oxo-2-sec-butoxy-ethyl)piperazin-1-yl]but-2-enoic acid CAS Name: (E)-4-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxo-1-piperazinyl]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazin-1-yl]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[3-keto-2-(2-keto-2-sec-butoxy-ethyl)piperazino]but-2-enoic acid Formula: C14H20N2O6 MolecularWeight: 312.3184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C=CC(=O)O

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H20N2O6/c1-3-9(2)22-13(20)8-10-14(21)15-6-7-16(10)11(17)4-5-12(18)19/h4-5,9-10H,3,6-8H2,1-2H3,(H,15,21)(H,18,19)/b5-4+