Basic information
- CAS
6172-40-3- Standard SMILES
CCOC(=O)C1(C)C(Br)=C(Nc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1- InChIKey
GKDOCIPXCWMFGN-UHFFFAOYSA-N- Molecular formula
- C20H18BrN3O5
- Average molar mass
- 460.3 g/mol
- Monoisotopic mass
- 459.04298
Names & identifiers
- Preferred name
- ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 3-bromo-2-methyl-4-(3-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate
Names & synonyms
6172-40-3ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylateAC1MF5ECethyl 3-bromo-2-methyl-4-((3-nitrophenyl)amino)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylateDTXSID30387417STK843334AKOS005625685ethyl 3-bromo-2-methyl-4-(3-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylateEthyl 3-bromo-2-methyl-4-(3-nitroanilino)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate
Database identifiers
- CAS
6172-40-3- PubChem CID
- 2889232
- DTXSID
DTXSID30387417
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 701
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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