Methyl 1-(4,5-dimethoxy-2-nitrobenzoyl)pyrrole-2-carboxylate
Basic information
- CAS
82635-52-7- Standard SMILES
COC(=O)c1cccn1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]- InChIKey
ZUJVYOLKIXJLIL-UHFFFAOYSA-N- Molecular formula
- C15H14N2O7
- Average molar mass
- 334.28 g/mol
- Monoisotopic mass
- 334.08010079
Names & identifiers
- Preferred name
- Methyl 1-(4,5-dimethoxy-2-nitrobenzoyl)pyrrole-2-carboxylate
- IUPAC
- methyl 1-(4,5-dimethoxy-2-nitrobenzoyl)pyrrole-2-carboxylate
Names & synonyms
NSC17799482635-52-7DTXSID00306635NSC-177994DS-011386methyl 1-(4,5-dimethoxy-2-nitro-benzoyl)pyrrole-2-carboxylateMethyl 1-(4,5-dimethoxy-2-nitrobenzoyl)-1H-pyrrole-2-carboxylate
Database identifiers
- CAS
82635-52-7- PubChem CID
- 301359
- DTXSID
DTXSID00306635
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 493
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Compound notes
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