Dataset

X-ray diffraction (XRD)

Chemical Info

InChI	InChI=1S/C20H16N4O2/c1-3-8-24-18-10-16(12-22)15(11-21)9-17(18)23-19(24)13-4-6-14(7-5-13)20(25)26-2/h4-7,9-10H,3,8H2,1-2H3
SMILES	CCCn1c(nc2c1cc(C#N)c(c2)C#N)c1ccc(cc1)C(=O)OC
InChI Key	DXIBAQPVFFVWMB-UHFFFAOYSA-N
Molecular Formula	C20H16N4O2
Exact Mass	344.367 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/DXIBAQPVFFVWMB-UHFFFAOYSA-N/CHMO0000156
License URL
Source	https://www.chemotion-repository.net/inchikey/DXIBAQPVFFVWMB-UHFFFAOYSA-N/CHMO0000156
Version
Author	Martin Nieger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-03-08T03:03:45.966986
MetadataModified	2025-03-09T03:13:13.077169
MetadataPublished	2025-03-07
Related Molecule

Field	Value
Measurement Technique	X-ray diffraction
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.