4-BR-2-(2-((2-Nitrophenoxy)acetyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate
Basic information
- CAS
881464-92-2- Standard SMILES
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1OC- InChIKey
YECOLXDXMRUCIA-LGJNPRDNSA-N- Molecular formula
- C24H20BrN3O8
- Average molar mass
- 558.3 g/mol
- Monoisotopic mass
- 557.04338
Names & identifiers
- Preferred name
- 4-BR-2-(2-((2-Nitrophenoxy)acetyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate
- IUPAC
- [4-bromo-2-[(E)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Names & synonyms
AKOS0244108624-BR-2-(2-((2-NITROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
Database identifiers
- CAS
881464-92-2- PubChem CID
- 9607737
- EC Number
- 129-514-4
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 779
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…