Basic information
- CAS
16784-56-8- Standard SMILES
COC(=O)/C(=C\c1ccccc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
IPEHAWJSDTZCTN-NTEUORMPSA-N- Molecular formula
- C16H13N3O6
- Average molar mass
- 343.29 g/mol
- Monoisotopic mass
- 343.08043514
Names & identifiers
- Preferred name
- methyl (E)-2-(2,4-dinitroanilino)-3-phenylprop-2-enoate
- IUPAC
- methyl (E)-2-(2,4-dinitroanilino)-3-phenylprop-2-enoate
Names & synonyms
16784-56-8NSC116850NSC-116850
Database identifiers
- CAS
16784-56-8- PubChem CID
- 6508680
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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