(Z)-ethyl 3-(5-bromo-2-methoxy-3-nitropyridin-4-yl)-2-hydroxyacrylate
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Basic information
- Standard SMILES
CCOC(=O)/C(O)=C/c1c(Br)cnc(OC)c1[N+](=O)[O-]- InChIKey
RLOKLVSATIGQHD-YWEYNIOJSA-N- Molecular formula
- C11H11BrN2O6
- Average molar mass
- 347.12 g/mol
- Monoisotopic mass
- 345.98005
Names & identifiers
- Preferred name
- (Z)-ethyl 3-(5-bromo-2-methoxy-3-nitropyridin-4-yl)-2-hydroxyacrylate
- IUPAC
- ethyl (Z)-3-(5-bromo-2-methoxy-3-nitro-4-pyridinyl)-2-hydroxyprop-2-enoate
Names & synonyms
SCHEMBL28385663SCHEMBL30517710RLOKLVSATIGQHD-YWEYNIOJSA-NDB-384975(Z)-ethyl 3-(5-bromo-2-methoxy-3-nitropyridin-4-yl)-2-hydroxyacrylateEthyl (2Z)-3-(5-bromo-2-methoxy-3-nitro-4-pyridinyl)-2-hydroxy-2-propenoate1445993-97-4
Database identifiers
- PubChem CID
- 136348377
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 397
Related reactions
1 records
Compound notes
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