CHEBI:81847 - Butralin

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ChEBI Name Butralin
ChEBI ID CHEBI:81847
Stars This entity has been manually annotated by a third party.
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Formula C14H21N3O4
Net Charge 0
Average Mass 295.33420
Monoisotopic Mass 295.15321
InChI InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3
InChIKey SPNQRCTZKIBOAX-UHFFFAOYSA-N
SMILES CCC(C)Nc1c(cc(cc1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O
ChEBI Ontology
Outgoing Butralin (CHEBI:81847) is a C-nitro compound (CHEBI:35716)
Manual Xrefs Databases
104 PPDB
C18582 KEGG COMPOUND
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Registry Number Type Source
33629-47-9 CAS Registry Number KEGG COMPOUND