Basic information
- CAS
56820-40-7- Standard SMILES
CC(=O)OCCNc1cc(C(N)=O)c([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
SMOJGELYULWUBG-UHFFFAOYSA-N- Molecular formula
- C11H12N4O7
- Average molar mass
- 312.24 g/mol
- Monoisotopic mass
- 312.07059873
Names & identifiers
- Preferred name
- 2-(5-Carbamoyl-2,4-dinitroanilino)ethyl acetate
- IUPAC
- 2-(5-carbamoyl-2,4-dinitroanilino)ethyl acetate
Names & synonyms
NSC14902256820-40-72-(5-carbamoyl-2,4-dinitroanilino)ethyl acetateDTXSID80302150NSC-149022
Database identifiers
- CAS
56820-40-7- PubChem CID
- 288263
- DTXSID
DTXSID80302150
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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