Basic information
- CAS
5472-61-7- Standard SMILES
COC(=O)C(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O- InChIKey
CHIVETSRXYVCAS-UHFFFAOYSA-N- Molecular formula
- C18H14N2O6
- Average molar mass
- 354.3 g/mol
- Monoisotopic mass
- 354.08518617
Names & identifiers
- Preferred name
- Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate
- IUPAC
- methyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate
Names & synonyms
5472-61-7methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoatemethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoateNSC29430DTXSID90283042NSC-29430
Database identifiers
- CAS
5472-61-7- PubChem CID
- 232185
- DTXSID
DTXSID90283042- Nikkaji
- J736.357E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 569
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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