2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)-
Basic information
- CAS
38236-38-3- Standard SMILES
[N-]=[N+]=CC(=O)CC[C@@H](C(=O)Oc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O- InChIKey
FMEFUKYZIBICGY-KRWDZBQOSA-N- Molecular formula
- C20H14N4O7
- Average molar mass
- 422.3 g/mol
- Monoisotopic mass
- 422.0862488
Names & identifiers
- Preferred name
- 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)-
- IUPAC
- (4-nitrophenyl) (2S)-6-diazo-2-(1,3-dioxoisoindol-2-yl)-5-oxohexanoate
Names & synonyms
38236-38-32H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)-
Database identifiers
- CAS
38236-38-3- PubChem CID
- 148241
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 785
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…