Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:48:35 UTC
Update Date2024-04-30 19:43:41 UTC
Metabolite IDMMDBc0029963
Metabolite Identification
Common Name1-Nitronaphthalene-5,6-oxide
Description1-nitronaphthalene-5,6-oxide belongs to the class of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. (inferred from compound structure)
Structure
SynonymsNot Available
Molecular FormulaC10H7NO3
Average Mass189.1675
Monoisotopic Mass189.042593095
IUPAC Name5-nitro-1aH,7aH-naphtho[1,2-b]oxirene
Traditional Name1-nitronaphthalene-5,6-oxide
CAS Registry NumberNot Available
SMILES
O=N(=O)C1=CC=CC2=C1C=CC1OC21
InChI Identifier
InChI=1S/C10H7NO3/c12-11(13)8-3-1-2-7-6(8)4-5-9-10(7)14-9/h1-5,9-10H
InChI KeyGSAMVXYBVGOJMK-UHFFFAOYSA-N