Basic information
- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)CCN(Cc1ccc3cc([N+](=O)[O-])ccc3n1)CC2- InChIKey
MEUNUUDLMJGDFO-UHFFFAOYSA-N- Molecular formula
- C20H18N4O4
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.13280507
Names & identifiers
- Preferred name
- 7-Nitro-3-(6-nitroquinol-2-ylmethyl)-1,2,4,5-tetrahydro-3H-3-benzazepine
- IUPAC
- 7-nitro-3-[(6-nitroquinolin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine
Names & synonyms
SCHEMBL10365458MEUNUUDLMJGDFO-UHFFFAOYSA-N7-Nitro-3-(6-nitroquinol-2-ylmethyl)-1,2,4,5-tetrahydro-3H-3-benzazepine
Database identifiers
- PubChem CID
- 21245059
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 578
Related reactions
2 records
Compound notes
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