2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide

HCID 3061827
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Basic information

CAS
79798-96-2
Standard SMILES
NC(=O)Cn1cc([N+](=O)[O-])sc1=NC(=O)c1cccc([N+](=O)[O-])c1
InChIKey
JELYDWWKRVQLOR-UHFFFAOYSA-N
Molecular formula
C12H9N5O6S
Average molar mass
351.3 g/mol
Monoisotopic mass
351.0273542

Names & identifiers

Preferred name
2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide
IUPAC
N-[3-(2-amino-2-oxoethyl)-5-nitro-1,3-thiazol-2-ylidene]-3-nitrobenzamide

Names & synonyms

2-((3-Nitrobenzoyl)imino)-5-nitro-4-thiazoline-3-acetamide2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide2-[(3-nitrobenzoyl)imino]-5-nitro-4-thiazoline-3-acetamide3(2H)-Thiazoleacetamide, 5-nitro-2-((3-nitrobenzoyl)imino)-79798-96-2SCHEMBL11149830SCHEMBL11149836JELYDWWKRVQLOR-UHFFFAOYSA-N

Database identifiers

CAS
79798-96-2
PubChem CID
3061827

Properties

Computed structural propertiesFilling in

XLogP
1
Topological polar surface area
193 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
24

Related reactions

1 records
New reaction record

Compound notes

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