[[1-[(2,4-Dichlorophenyl)methyl]-5-nitro-2-oxoindol-3-ylidene]amino] 3-methylbutanoate
Basic information
- CAS
303998-05-2- Standard SMILES
CC(C)CC(=O)ON=C1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccc([N+](=O)[O-])cc21- InChIKey
HDADGVGUGVIQGX-UHFFFAOYSA-N- Molecular formula
- C20H17Cl2N3O5
- Average molar mass
- 450.3 g/mol
Names & identifiers
- Preferred name
- [[1-[(2,4-Dichlorophenyl)methyl]-5-nitro-2-oxoindol-3-ylidene]amino] 3-methylbutanoate
- IUPAC
- [[1-[(2,4-dichlorophenyl)methyl]-5-nitro-2-oxoindol-3-ylidene]amino] 3-methylbutanoate
- English name
- 1-(2,4-Dichlorobenzyl)-3-([(3-methylbutanoyl)oxy]imino)-5-nitro-1,3-dihydro-2H-indol-2-one
- Molecular formula
- C20H17Cl2N3O5
- Molecular weight
- 450.27
Names & synonyms
1-(2,4-Dichlorobenzyl)-3-([(3-methylbutanoyl)oxy]imino)-5-nitro-1,3-dihydro-2H-indol-2-one1H-Indole-2,3-dione, 1-[(2,4-dichlorophenyl)methyl]-5-nitro-, 3-[O-(3-methyl-1-oxobutyl)oxime][(3Z)-1-[(2,4-dichlorophenyl)methyl]-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino 3-methylbutanoate
Database identifiers
- CAS
303998-05-2
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 711
Physicochemical properties
- Boiling point
- 585.7 · 585.7±60.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- -6.24 · -6.24±0.20(Predicted)
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