3-{(3E)-3-[2-(4-Nitrophenyl)hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl}alanine
Basic information
- CAS
37019-62-8- Standard SMILES
NC(Cc1ccc(O)c(N=Nc2ccc([N+](=O)[O-])cc2)c1)C(=O)O- InChIKey
WWDUILLOOLKXPX-UHFFFAOYSA-N- Molecular formula
- C15H14N4O5
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.09641956
Names & identifiers
- Preferred name
- 3-{(3E)-3-[2-(4-Nitrophenyl)hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl}alanine
- IUPAC
- 2-amino-3-[4-hydroxy-3-[(4-nitrophenyl)diazenyl]phenyl]propanoic acid
Names & synonyms
37019-62-8NSC231683DTXSID80418346NSC-2316833-{(3E)-3-[2-(4-Nitrophenyl)hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl}alanine
Database identifiers
- CAS
37019-62-8- PubChem CID
- 314356
- DTXSID
DTXSID80418346
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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