Basic information
- CAS
81092-84-4- Standard SMILES
O=c1c2ccccc2c2cc3nc4ccc([N+](=O)[O-])cc4c(=O)n3c3cccc1c23- InChIKey
KHQGRJFOQNWAIZ-UHFFFAOYSA-N- Molecular formula
- C23H11N3O4
- Average molar mass
- 393.3 g/mol
- Monoisotopic mass
- 393.07495584
Names & identifiers
- Preferred name
- 6-Nitro-2,10-diazahexacyclo[11.11.1.02,11.04,9.014,19.021,25]pentacosa-1(24),4(9),5,7,10,12,14,16,18,21(25),22-undecaene-3,20-dione
- IUPAC
- 6-nitro-2,10-diazahexacyclo[11.11.1.02,11.04,9.014,19.021,25]pentacosa-1(24),4(9),5,7,10,12,14,16,18,21(25),22-undecaene-3,20-dione
Names & synonyms
NSC36762981092-84-4DTXSID60320993NSC-36762912-Nitronaphtho[1',2',3':4,5]quino[2,1-b]quinazoline-5,10-dione12-Nitronaphtho[1',2',3':4,5]quinolino[2,1-b]quinazoline-5,10-dione
Database identifiers
- CAS
81092-84-4- PubChem CID
- 339784
- DTXSID
DTXSID60320993
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 874
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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