Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Information

molecular Image
InChI InChI=1S/C14H14N2O4/c1-9(17)16-8-13(18)15-12(14(16)19)7-10-3-5-11(20-2)6-4-10/h3-7H,8H2,1-2H3,(H,15,18)/b12-7-
SMILES COc1ccc(cc1)/C=C/1\NC(=O)CN(C1=O)C(=O)C
InChI Key DHTWSXQNUMZDAD-GHXNOFRVSA-N
Molecular Formula C14H14N2O4
Exact Mass 274.272 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DHTWSXQNUMZDAD-GHXNOFRVSA-N/CHMO0000156
License URL
Source https://www.chemotion-repository.net/inchikey/DHTWSXQNUMZDAD-GHXNOFRVSA-N/CHMO0000156
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-19
Related Molecule
  • (3Z)-1-acetyl-3-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
    • Field Value
    Measurement Technique X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    QERWAP CCDC
    SCHEMBL8411263 SureChEMBL
    15517159 PubChem: Thomson Pharma
    5392210 PubChem
    The data in this table is sourced from UniChem at EBI.