N-[(E)-[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-nitrobenzamide
Basic information
- CAS
5561-58-0- Standard SMILES
Cc1cc2c(cc1C)CN(c1ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc1)C2- InChIKey
NIDYIYQRBNMEGA-DHRITJCHSA-N- Molecular formula
- C24H22N4O3
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.16919058
Names & identifiers
- Preferred name
- N-[(E)-[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-nitrobenzamide
- IUPAC
- N-[(E)-[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-nitrobenzamide
Names & synonyms
5561-58-0N-[(E)-[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-nitrobenzamideN'-[4-(5,6-dimethyl-1,3-dihydro-2H-isoindol-2-yl)benzylidene]-4-nitrobenzohydrazideAC1NSJ8JDTXSID90416510N'-{(E)-[4-(5,6-Dimethyl-1,3-dihydro-2H-isoindol-2-yl)phenyl]methylidene}-4-nitrobenzohydrazide
Database identifiers
- CAS
5561-58-0- PubChem CID
- 5334971
- DTXSID
DTXSID90416510
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 644
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Related reactions
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Compound notes
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