Basic information
- CAS
253133-03-8- Standard SMILES
CC(=NNC(=O)/C=C/C(=O)[O-])c1ccc([N+](=O)[O-])cc1- InChIKey
OPKVMGMYQMDJET-QZEOAWFLSA-M- Molecular formula
- C12H10N3O5-
- Average molar mass
- 276.22 g/mol
- Monoisotopic mass
- 276.06204543
Names & identifiers
- Preferred name
- (E)-4-[2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-4-oxobut-2-enoate
- IUPAC
- (E)-4-[2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-4-oxobut-2-enoate
Names & synonyms
ZINC03956900DTXSID90427722253133-03-8(2E)-4-{2-[1-(4-Nitrophenyl)ethylidene]hydrazin-1-yl}-4-oxobut-2-enoate
Database identifiers
- CAS
253133-03-8- PubChem CID
- 7067553
- DTXSID
DTXSID90427722
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- -1
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…