methyl 4-[[(2E)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate
Basic information
- CAS
57245-76-8- Standard SMILES
COC(=O)c1ccc(N(C)C/C(CN2C(=O)c3ccccc3C2=O)=N\O)cc1- InChIKey
HDLVALPLKOOMOH-KGENOOAVSA-N- Molecular formula
- C20H19N3O5
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.13247072
Names & identifiers
- Preferred name
- methyl 4-[[(2E)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate
- IUPAC
- methyl 4-[[(2E)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate
Names & synonyms
NSC11764057245-76-8DTXSID10430278NSC-117640Methyl 4-{[(2E)-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-(hydroxyimino)propyl](methyl)amino}benzoate
Database identifiers
- CAS
57245-76-8- PubChem CID
- 9562332
- DTXSID
DTXSID10430278
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 618
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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