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CHEBI:83366 - 2-sec-butyl-4,6-dinitrophenyl 3-methylbut-2-enoate

ChEBI IDCHEBI:83366
ChEBI Name2-sec-butyl-4,6-dinitrophenyl 3-methylbut-2-enoate
Stars
ASCII Name2-sec-butyl-4,6-dinitrophenyl 3-methylbut-2-enoate
DefinitionAn enoate ester obtained by formal condensation of the carboxy group of 3,3-dimethylacrylic acid with the phenolic hydroxy group of dinoseb.
Last Modified21 October 2014
SubmitterSteve
DownloadsMolfile
FormulaC15H18N2O6
Net Charge0
Average Mass322.317
Monoisotopic Mass322.11649
SMILESCCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)C=C(C)C
InChIInChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3
InChIKeyZRDUSMYWDRPZRM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-sec-butyl-4,6-dinitrophenyl 3-methylbut-2-enoate (CHEBI:83366) has functional parent dinoseb (CHEBI:34719)
2-sec-butyl-4,6-dinitrophenyl 3-methylbut-2-enoate (CHEBI:83366) is a C-nitro compound (CHEBI:35716)
2-sec-butyl-4,6-dinitrophenyl 3-methylbut-2-enoate (CHEBI:83366) is a enoate ester (CHEBI:51702)
Incoming Relation(s)
(R)-binapacryl (CHEBI:83367) is a 2-sec-butyl-4,6-dinitrophenyl 3-methylbut-2-enoate (CHEBI:83366)
(S)-binapacryl (CHEBI:83371) is a 2-sec-butyl-4,6-dinitrophenyl 3-methylbut-2-enoate (CHEBI:83366)
IUPAC Name 
2-(butan-2-yl)-4,6-dinitrophenyl 3-methylbut-2-enoate
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