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Basic information
- Standard SMILES
O=C(Nc1ccccc1)OCc1cn(-c2cc3cc(C(=O)O)c(=O)[nH]c3cc2[N+](=O)[O-])cn1- InChIKey
QTSWYTAUTASACZ-UHFFFAOYSA-N- Molecular formula
- C21H15N5O7
- Average molar mass
- 449.4 g/mol
Names & identifiers
- Preferred name
- 1,2-Dihydro-7-nitro-2-oxo-6-(4-((phenylcarbamoyloxy)methyl)imidazole-1-yl)quinoline-3-carboxylic acid
- IUPAC
- 7-nitro-2-oxo-6-[4-(phenylcarbamoyloxymethyl)imidazol-1-yl]-1H-quinoline-3-carboxylic acid
Names & synonyms
SCHEMBL6597747QTSWYTAUTASACZ-UHFFFAOYSA-N1,2-dihydro-7-nitro-2-oxo-6-(4-((phenylcarbamoyloxy)methyl)imidazole-1-yl)quinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 9868321
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 822
Related reactions
1 records
Compound notes
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