Basic information
- CAS
17244-30-3- Standard SMILES
COC(=O)c1ccccc1NC1=CC(=O)NC1=O- InChIKey
LPJMAYKEQMWWPS-UHFFFAOYSA-N- Molecular formula
- C12H10N2O4
- Average molar mass
- 246.22 g/mol
- Monoisotopic mass
- 246.0640568
Names & identifiers
- Preferred name
- Methyl 2-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-3-yl)amino]benzoate
- IUPAC
- methyl 2-[(2,5-dioxopyrrol-3-yl)amino]benzoate
Names & synonyms
DTXSID201177529Methyl 2-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-3-yl)amino]benzoateMethyl 2-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate17244-30-3
Database identifiers
- CAS
17244-30-3- PubChem CID
- 165352002
- DTXSID
DTXSID201177529
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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