2-((E)-{[4-(diethylamino)phenyl]imino}methyl)-4-nitrophenol
Basic information
- CAS
5277-99-6- Standard SMILES
CCN(CC)c1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)cc1- InChIKey
FTFJKDPPUAKRPI-UHFFFAOYSA-N- Molecular formula
- C17H19N3O3
- Average molar mass
- 313.35 g/mol
- Monoisotopic mass
- 313.14264148
Names & identifiers
- Preferred name
- 2-((E)-{[4-(diethylamino)phenyl]imino}methyl)-4-nitrophenol
- IUPAC
- 2-[[4-(diethylamino)phenyl]iminomethyl]-4-nitrophenol
Names & synonyms
5277-99-6AC1NSBM52-((E)-{[4-(diethylamino)phenyl]imino}methyl)-4-nitrophenol2-[(E)-{[4-(diethylamino)phenyl]imino}methyl]-4-nitrophenolOprea1_220123Oprea1_838352DTXSID70416270STK066380AKOS000484421ST45031028SR-01000203021SR-01000203021-1
Show more names
(E)-2-({[4-(diethylamino)phenyl]imino}methyl)-4-nitrophenol2-{(1E)-2-[4-(diethylamino)phenyl]-2-azavinyl}-4-nitrophenol(6E)-6-{[4-(Diethylamino)anilino]methylidene}-4-nitrocyclohexa-2,4-dien-1-one
Database identifiers
- CAS
5277-99-6- PubChem CID
- 786246
- DTXSID
DTXSID70416270
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 398
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Compound notes
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