Basic information
- CAS
1035454-22-8- Standard SMILES
Cc1cccc(C(C)(C)C)c1NC(=O)C(Cc1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)=NNC(=O)C[N+](C)(C)C.[Cl-]- InChIKey
GNSRRECOCLLXLK-UHFFFAOYSA-N- Molecular formula
- C27H34ClN7O5
- Average molar mass
- 572.1 g/mol
- Monoisotopic mass
- 571.2309949
Names & identifiers
- Preferred name
- [2-[2-[1-(2-tert-butyl-6-methylanilino)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-1-oxopropan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
- IUPAC
- [2-[2-[1-(2-tert-butyl-6-methylanilino)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-1-oxopropan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
Database identifiers
- CAS
1035454-22-8- PubChem CID
- 373372
Properties
Computed structural properties
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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