Dataset

X-ray diffraction (XRD)

Chemical Info

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

• X-ray diffraction (XRD)HTML
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• x-ray-diffraction

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

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
MetadataCreated	2024-09-07T07:45:56.480741
MetadataModified	2024-09-07T23:33:47.089356
MetadataPublished	2022-09-19

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.