Basic information
- CAS
56820-41-8- Standard SMILES
CCC(=O)OCCNc1cc(C(N)=O)c([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
CRMYFEMJNTZDIE-UHFFFAOYSA-N- Molecular formula
- C12H14N4O7
- Average molar mass
- 326.26 g/mol
- Monoisotopic mass
- 326.0862488
Names & identifiers
- Preferred name
- 2-[(5-Carbamoyl-2,4-dinitrophenyl)amino]ethyl propanoate
- IUPAC
- 2-(5-carbamoyl-2,4-dinitroanilino)ethyl propanoate
Names & synonyms
56820-41-82-[(5-carbamoyl-2,4-dinitrophenyl)amino]ethyl propanoate2-(5-carbamoyl-2,4-dinitroanilino)ethyl propanoateNSC149023DTXSID40302151NSC-149023
Database identifiers
- CAS
56820-41-8- PubChem CID
- 288264
- DTXSID
DTXSID40302151
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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