N-(2,5-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
Basic information
- CAS
5731-34-0- Standard SMILES
COc1ccc(OC)c(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)c1- InChIKey
MITCWUBYARXSAT-UHFFFAOYSA-N- Molecular formula
- C23H17N3O7
- Average molar mass
- 447.4 g/mol
- Monoisotopic mass
- 447.10664989
Names & identifiers
- Preferred name
- N-(2,5-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
- IUPAC
- N-(2,5-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
Names & synonyms
5731-34-0STK295868N-(2,5-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-dioxo-5-isoindolinecarboxamideN-(2,5-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamideCBMicro_000882Oprea1_714366DTXSID30367370SMSF0007494AKOS003243988N-(2,5-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxamideCB02188BIM-0000737.P001
Show more names
SR-01000218272SR-01000218272-1
Database identifiers
- CAS
5731-34-0- PubChem CID
- 2262017
- DTXSID
DTXSID30367370
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 785
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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