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CHEBI:38630 - indoxacarb

ChEBI IDCHEBI:38630
ChEBI Nameindoxacarb
Stars
Last Modified16 March 2015
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC22H17ClF3N3O7
Net Charge0
Average Mass527.839
Monoisotopic Mass527.07071
SMILESCOC(=O)N(C(=O)N1CO[C@@]2(C(=O)OC)Cc3cc(Cl)ccc3C2=N1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1
InChIKeyVBCVPMMZEGZULK-NRFANRHFSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
methyl (4aS)-7-chloro-2-{(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]carbamoyl}-2,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylate
Synonyms  Source
indoxacarbChemIDplus
StewardChemIDplus
Manual XrefsDatabases
D06316KEGG DRUG
C18569KEGG COMPOUND
399PPDB
Registry NumbersSources
Beilstein:8366683Beilstein
CAS:173584-44-6ChemIDplus
CAS:173584-44-6KEGG COMPOUND