Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Information

molecular Image
InChI InChI=1S/C15H17N3O3/c1-10(19)18-9-14(20)16-13(15(18)21)8-11-4-6-12(7-5-11)17(2)3/h4-8H,9H2,1-3H3,(H,16,20)/b13-8-
SMILES O=C1N/C(=C\c2ccc(cc2)N(C)C)/C(=O)N(C1)C(=O)C
InChI Key SYFVNJGPALDWRA-JYRVWZFOSA-N
Molecular Formula C15H17N3O3
Exact Mass 287.314 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SYFVNJGPALDWRA-JYRVWZFOSA-N/CHMO0000156
License URL
Source https://www.chemotion-repository.net/inchikey/SYFVNJGPALDWRA-JYRVWZFOSA-N/CHMO0000156
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-19
Related Molecule
  • (3Z)-1-acetyl-3-[[4-(dimethylamino)phenyl]methylidene]piperazine-2,5-dione
    • Field Value
    Measurement Technique X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5932353 PubChem
    QERVUI CCDC
    SCHEMBL8592055 SureChEMBL
    The data in this table is sourced from UniChem at EBI.