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Basic information
- Standard SMILES
O=C1c2[nH]c3ccc([N+](=O)[O-])cc3c(=O)c2C(=O)N1Nc1ccccc1- InChIKey
DOCAAIGWJMBDLP-UHFFFAOYSA-N- Molecular formula
- C17H10N4O5
- Average molar mass
- 350.28 g/mol
- Monoisotopic mass
- 350.06511943
Names & identifiers
- Preferred name
- 2-Anilino-7-nitro-2,3,4,9-tetrahydro-1H-pyrrolo[3,4-b]quinoline-1,3,9-trione
- IUPAC
- 2-anilino-7-nitro-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione
Names & synonyms
SCHEMBL6233198DOCAAIGWJMBDLP-UHFFFAOYSA-N2-Anilino-7-nitro-2,3,4,9-tetrahydro-1H-pyrrolo[3,4-b]quinoline-1,3,9-trione
Database identifiers
- PubChem CID
- 21997673
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 706
Related reactions
2 records
Compound notes
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