(Z)-3-(4-bromo-3-methoxy-phenylamino)-but-2-enoic acid ethyl ester
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Basic information
- Standard SMILES
CCOC(=O)/C=C(/C)Nc1ccc(Br)c(OC)c1- InChIKey
QSXPTGKTXDBRIM-CLFYSBASSA-N- Molecular formula
- C13H16BrNO3
- Average molar mass
- 314.17 g/mol
- Monoisotopic mass
- 313.03136
Names & identifiers
- Preferred name
- (Z)-3-(4-bromo-3-methoxy-phenylamino)-but-2-enoic acid ethyl ester
- IUPAC
- ethyl (Z)-3-(4-bromo-3-methoxyanilino)but-2-enoate
Names & synonyms
SCHEMBL5033299SCHEMBL29455054QSXPTGKTXDBRIM-CLFYSBASSA-N(Z)-ethyl 3-((4-bromo-3-methoxyphenyl)amino)but-2-enoate(Z)-3-(4-bromo-3-methoxy-phenylamino)-but-2-enoic acid ethyl ester
Database identifiers
- PubChem CID
- 69287166
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
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Related reactions
2 records
Compound notes
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