Dataset

X-ray diffraction (XRD)

Chemical Info

InChI	InChI=1S/C13H12N2O3/c1-9(16)15-8-12(17)14-11(13(15)18)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,17)/b11-7-
SMILES	CC(=O)N1CC(=O)N/C(=C\c2ccccc2)/C1=O
InChI Key	MJCOATFQVUUHFN-XFFZJAGNSA-N
Molecular Formula	C13H12N2O3
Exact Mass	244.246 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MJCOATFQVUUHFN-XFFZJAGNSA-N/CHMO0000156
License URL
Source	https://www.chemotion-repository.net/inchikey/MJCOATFQVUUHFN-XFFZJAGNSA-N/CHMO0000156
Version
Author	Martin Nieger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:45:43.668324
MetadataModified	2024-09-07T23:33:30.777571
MetadataPublished	2022-09-19

Field	Value
Measurement Technique	X-ray diffraction
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000034379828	ZINC
J1.966.228D	Nikkaji
J672.510D	Nikkaji
QERVOC	CCDC
5915153	PubChem
SCHEMBL79547	SureChEMBL
The data in this table is sourced from UniChem at EBI.