Basic information
- CAS
5737-06-4- Standard SMILES
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc([N+](=O)[O-])c1O- InChIKey
HAQXSQVDXUPVLF-WDZFZDKYSA-N- Molecular formula
- C17H13N3O6
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 355.08043514
Names & identifiers
- Preferred name
- (Z)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
- IUPAC
- (Z)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
Names & synonyms
5737-06-4(Z)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-N-(4-hydroxyphenyl)prop-2-enamide2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-N-(4-hydroxyphenyl)acrylamideAC1NSMPHDTXSID80416620SR-01000218517SR-01000218517-1(2Z)-2-CYANO-3-(4-HYDROXY-3-METHOXY-5-NITROPHENYL)-N-(4-HYDROXYPHENYL)PROP-2-ENAMIDE
Database identifiers
- CAS
5737-06-4- PubChem CID
- 5336522
- DTXSID
DTXSID80416620
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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