Dataset

X-ray diffraction (XRD)

Chemical Info

InChI	InChI=1S/C19H18Cl2N4O2/c1-19(2,3)16-13(22-9-23-16)8-15-18(27)24-14(17(26)25-15)7-10-11(20)5-4-6-12(10)21/h4-9H,1-3H3,(H,22,23)(H,24,27)(H,25,26)/b14-7+,15-8-
SMILES	Clc1cccc(c1/C=c\1/[nH]c(=O)/c(=C/c2nc[nH]c2C(C)(C)C)/[nH]c1=O)Cl
InChI Key	LMVUWTHIXFBXBY-GOBHWCIESA-N
Molecular Formula	C19H18Cl2N4O2
Exact Mass	405.278 g/mol

Data and Resources

• X-ray diffraction (XRD)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LMVUWTHIXFBXBY-GOBHWCIESA-N/CHMO0000156.1
License URL
Source	https://www.chemotion-repository.net/inchikey/LMVUWTHIXFBXBY-GOBHWCIESA-N/CHMO0000156.1
Version
Author	Zbigniew Pianowski
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:46:06.407901
MetadataModified	2024-09-07T23:34:00.610880
MetadataPublished	2022-09-19

Field	Value
Measurement Technique	X-ray diffraction
Measurement Variables

Data-Source Molecule ID	Data-Source
164889745	PubChem
The data in this table is sourced from UniChem at EBI.