BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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3-Nitrofluoranthene

Graphical representations:

3-Nitrofluoranthene image

Molecular Formula: C16 H9 N O2

Natural Isotopic Abundance Mass: 247.24816

Mono-Isotopic Molecular Masses:

  • C12N14: 247.0633285383
  • C13N14: 263.1170059431
  • C12N15: 248.0603634315
  • C13N15: 264.1140408363

InCHi String: InChI=1S/C16H9NO2/c18-17(19)15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H

canonical and isomeric SMILES: C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)[N+](=O)[O-]

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
3-nitrofluoranthene

PubChem Substance (SID):   111677884   156812   10462758
PubChem Compound (CID):   13462
KEGG: Compound ID   C14406
CAS Registry IDs:   892-21-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 892-21-7   MMCD cq_10246   ChEBI CHEBI:376621   ChemIDplus 000892217   ChemSpider 12885   CCRIS 2054   Beilstein Handbook Reference 3-05-00-02279   NIST Chemistry WebBook 1878872658   NIST 1878872658

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.