CHEBI:228776 - 3-[(Z)-(5-nitro-1H-indol-3-yl)methylidene]-1H-indol-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 3-[(Z)-(5-nitro-1H-indol-3-yl)methylidene]-1H-indol-2-one
ChEBI ID CHEBI:228776
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H11N3O3
Net Charge 0
Average Mass 305.293
Monoisotopic Mass 305.08004
InChI InChI=1S/C17H11N3O3/c21-17-14(12-3-1-2-4-16(12)19-17)7-10-9-18-15-6-5-11(20(22)23)8-13(10)15/h1-9,18H,(H,19,21)/b14-7-
InChIKey UYWGYPSZHWUMHT-AUWJEWJLSA-N
SMILES O=C\1NC=2C(/C1=C/C=3C4=C(NC3)C=CC([N+]([O-])=O)=C4)=CC=CC2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing 3-[(Z)-(5-nitro-1H-indol-3-yl)methylidene]-1H-indol-2-one (CHEBI:228776) is a indoles (CHEBI:24828)
IUPAC Name
(3Z)-3-[(5-nitro-1H-indol-3-yl)methylidene]-1H-indol-2-one
Manual Xref Database
4652005 ChemSpider
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