3-(2-Nitro-benzoylamino)-thieno[2,3-c]pyrazole-1,5-dicarboxylic Acid 1-ethyl Ester

HCID 57737263
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Basic information

Standard SMILES
CCOC(=O)n1nc(NC(=O)c2ccccc2[N+](=O)[O-])c2cc(C(=O)O)sc21
InChIKey
QWVDGRIQJQVWTQ-UHFFFAOYSA-N
Molecular formula
C16H12N4O7S
Average molar mass
404.4 g/mol

Names & identifiers

Preferred name
3-(2-Nitro-benzoylamino)-thieno[2,3-c]pyrazole-1,5-dicarboxylic Acid 1-ethyl Ester
IUPAC
1-ethoxycarbonyl-3-[(2-nitrobenzoyl)amino]thieno[3,2-d]pyrazole-5-carboxylic acid

Names & synonyms

SCHEMBL1780658QWVDGRIQJQVWTQ-UHFFFAOYSA-N3-(2-Nitro-benzoylamino)-thieno[2,3-c]pyrazole-1,5-dicarboxylic Acid 1-ethyl Ester

Database identifiers

PubChem CID
57737263

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
185 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
28

Related reactions

3 records
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Compound notes

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