Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

RNO

Summary
Name:(R)-PARA-NITROSTYRENE OXIDE
Synonyms:(2R)-2-(4-NITROPHENYL)OXIRANE
Formula:C8 H7 N O3
Formal charge:0
Formula weight:165.146 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-2-(4-nitrophenyl)oxirane
OpenEye OEToolkits1.5.0(2R)-2-(4-nitrophenyl)oxirane

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-][N+](=O)c1ccc(cc1)C2OC2
SMILES_CANONICALCACTVS3.341[O-][N+](=O)c1ccc(cc1)[C@@H]2CO2
SMILESCACTVS3.341[O-][N+](=O)c1ccc(cc1)[CH]2CO2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1[C@@H]2CO2)[N+](=O)[O-]
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C2CO2)[N+](=O)[O-]
InChIInChI1.03InChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2/t8-/m0/s1
InChIKeyInChI1.03YKIUTLHCSNCTDZ-QMMMGPOBSA-N

222624

数据于2024-07-17公开中

PDB statisticsPDBj update infoContact PDBjnumon