N-[(E)-(3-butyl-2-phenylinden-1-ylidene)amino]-2,4-dinitroaniline
Basic information
- CAS
5041-49-6- Standard SMILES
CCCCC1=C(c2ccccc2)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21- InChIKey
WAMYHIVYSOOYFB-IMVLJIQESA-N- Molecular formula
- C25H22N4O4
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.1641052
Names & identifiers
- Preferred name
- N-[(E)-(3-butyl-2-phenylinden-1-ylidene)amino]-2,4-dinitroaniline
- IUPAC
- N-[(E)-(3-butyl-2-phenylinden-1-ylidene)amino]-2,4-dinitroaniline
Names & synonyms
NSC842815041-49-6NSC-84281
Database identifiers
- CAS
5041-49-6- PubChem CID
- 9568296
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 778
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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