CHEBI:114298 - 3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene ChEBI ID CHEBI:114298 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H20N3O5 Net Charge +1 Average Mass 334.348 Monoisotopic Mass 334.13975 InChI InChI=1S/C16H20N3O5/c1-19(2)11-15(17(20)21)9-8-14(16(10-15,12-19)18(22)23)24-13-6-4-3-5-7-13/h3-8H,9-12H2,1-2H3/q+1 InChIKey QYMKNXONXJPRSW-UHFFFAOYSA-N SMILES C[N+]1(CC2(CC=C(C(C2)(C1)[N+](=O)[O-])OC3=CC=CC=C3)[N+](=O)[O-])C ChEBI Ontology Outgoing 3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene (CHEBI:114298) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-25758 LINCS View more database links