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Record Information
HMDB Statusdetected
Creation Date2024-02-21 01:41:01 UTC
Update Date2025-03-21 20:00:41 UTC
HMDB IDHMDB0245944
Metabolite Identification
DeepMet IDDMID00298927
Name3-Nitroaniline
Frequency6.6
Structure
Chemical FormulaC6H6N2O2
Molecular Mass138.0429
SMILESNc1cccc([N+](=O)[O-])c1
InChI KeyXJCVRTZCHMZPBD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass nitrobenzenes
Direct Parent nitrobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • nitroaromatic compound
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic oxoazanium
  • amine
  • organic hyponitrite
  • nitrobenzene