Dataset
X-ray diffraction (XRD)
Chemical Info
InChI | InChI=1S/C14H11N3O3/c1-9(18)17-8-13(19)16-12(14(17)20)6-10-2-4-11(7-15)5-3-10/h2-6H,8H2,1H3,(H,16,19)/b12-6- |
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SMILES | N#Cc1ccc(cc1)/C=C/1\NC(=O)CN(C1=O)C(=O)C |
InChI Key | DDZMJSZYMNIGEY-SDQBBNPISA-N |
Molecular Formula | C14H11N3O3 |
Exact Mass | 269.255 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/DDZMJSZYMNIGEY-SDQBBNPISA-N/CHMO0000156 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/DDZMJSZYMNIGEY-SDQBBNPISA-N/CHMO0000156 |
Version | |
Author | Martin Nieger |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T07:45:46.275605 |
MetadataModified | 2024-09-07T23:33:33.874453 |
MetadataPublished | 2022-09-19 |
Field | Value |
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Measurement Technique | X-ray diffraction |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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164889740 | PubChem |
The data in this table is sourced from UniChem at EBI. |