Secondary metabolite:(2-Nitroethyl)benzene



EOCID002181
Summary

sCentInDB Chemical identifier: EOCID002181

Chemical name: (2-Nitroethyl)benzene

Molecular formula: C8H9NO2

SMILES: [O-][N+](=O)CCc1ccccc1

InChI: InChI=1S/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey: XAWCLWKTUKMCMO-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Benzenoids

Class: Benzene and substituted derivatives

Subclass:


Synonymous chemical name(s):
1-nitro-2-phenyl-ethane, 1-nitro-2-phenylethane


External chemical identifier(s):
CID:80208, CHEMBL4572176, CHEMSPIDER:72452, ZINC000001608651, MOLPORT:006-117-514, SURECHEMBL:SCHEMBL264237


Spectrabase ID:
EdA4UiHY1pR


Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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