Basic information
- Standard SMILES
Cl.O=C(Nc1cccnc1)N1CCc2cc([N+](=O)[O-])ccc21- InChIKey
MZVQWJKKBXCASB-UHFFFAOYSA-N- Molecular formula
- C14H13ClN4O3
- Average molar mass
- 320.73 g/mol
Names & identifiers
- Preferred name
- 5-Nitro-1-(3-pyridylcarbamoyl)indoline Hydrochloride
- IUPAC
- 5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide;hydrochloride
Names & synonyms
SCHEMBL8528788MZVQWJKKBXCASB-UHFFFAOYSA-N5-Nitro-1-(3-pyridylcarbamoyl)indoline Hydrochloride
Database identifiers
- PubChem CID
- 18940945
Properties
Computed structural properties
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 412
Related reactions
1 records
Compound notes
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