Basic information
- CAS
15767-39-2- Standard SMILES
COc1ccc(N=NC(C(C)=O)C(=O)Nc2ccc(C(N)=O)cc2)c([N+](=O)[O-])c1- InChIKey
YMNGRYRTVLVNBH-UHFFFAOYSA-N- Molecular formula
- C18H17N5O6
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.11788328
Names & identifiers
- Preferred name
- 4-((2-((4-Methoxy-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzamide
- IUPAC
- 4-[[2-[(4-methoxy-2-nitrophenyl)diazenyl]-3-oxobutanoyl]amino]benzamide
Names & synonyms
Yellow Orange 2-614-((2-((4-Methoxy-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzamideBenzamide, 4-((2-((4-methoxy-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)-15767-39-2
Database identifiers
- CAS
15767-39-2- PubChem CID
- 204151
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 656
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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