N'-[(3E)-5-bromo-1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-2-(2-nitrophenoxy)acetohydrazide
Basic information
- CAS
497867-85-3- Standard SMILES
CCCCn1c(O)c(N=NC(=O)COc2ccccc2[N+](=O)[O-])c2cc(Br)ccc21- InChIKey
PQFLWUXDPMFEKY-UHFFFAOYSA-N- Molecular formula
- C20H19BrN4O5
- Average molar mass
- 475.3 g/mol
- Monoisotopic mass
- 474.05388
Names & identifiers
- Preferred name
- N'-[(3E)-5-bromo-1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-2-(2-nitrophenoxy)acetohydrazide
- IUPAC
- N-(5-bromo-1-butyl-2-hydroxyindol-3-yl)imino-2-(2-nitrophenoxy)acetamide
Names & synonyms
497867-85-3DTXSID701117685MFCD02288202STK104426AKOS005397487ZINC100175971N'-[(3E)-5-bromo-1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-2-(2-nitrophenoxy)acetohydrazideZINC000009380280(E)N(5bromo1butyl2oxoindolin3ylidene)2(2nitrophenoxy)acetohydrazideCCCCN1C(=O)C(=NNC(=O)COc2ccccc2(N+)(=O)(O))c2c1ccc(c2)BrN((E)(5BROMO1BUTYL2OXOINDOL3YLIDENE)AMINO)2(2NITROPHENOXY)ACETAMIDE(E)-N'-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-(2-nitrophenoxy)acetohydrazide
Show more names
CCCCN1C2=C(C=C(C=C2)Br)C(=NNC(=O)COC3=CC=CC=C3(N+)(=O)(O))C1=ON((3E)5BROMO1BUTYL2OXO12DIHYDRO3HINDOL3YLIDENE)2(2NITROPHENOXY)ACETOHYDRAZIDE2-(2-Nitrophenoxy)acetic acid 2-(5-bromo-1-butyl-1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazideN'-(5-Bromo-1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2-(2-nitrophenoxy)acetohydrazide
Database identifiers
- CAS
497867-85-3- PubChem CID
- 1960187
- DTXSID
DTXSID701117685
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 631
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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