Basic information
- CAS
5345-07-3- Standard SMILES
N#CC(CCc1ccccc1[N+](=O)[O-])(CCc1ccccc1[N+](=O)[O-])C(N)=O- InChIKey
KGLQBCZBYLVUQX-UHFFFAOYSA-N- Molecular formula
- C19H18N4O5
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.12771969
Names & identifiers
- Preferred name
- 2-Cyano-4-(4-nitrophenyl)-2-[2-(4-nitrophenyl)ethyl]butanamide
- IUPAC
- 2-cyano-4-(2-nitrophenyl)-2-[2-(2-nitrophenyl)ethyl]butanamide
Names & synonyms
MLS0026376565345-07-32-CYANO-4-(4-NITROPHENYL)-2-[2-(4-NITROPHENYL)ETHYL]BUTANAMIDENSC2995CHEMBL1903785DTXSID10968122HMS3091L15NSC-2995SMR0015471822-Cyano-4-(2-nitrophenyl)-2-[2-(2-nitrophenyl)ethyl]butanimidic acid
Database identifiers
- CAS
5345-07-3- PubChem CID
- 220366
- DTXSID
DTXSID10968122- ChEMBL
CHEMBL1903785
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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