BPN
Summary
Name: | PARANITROBENZYL ALCOHOL |
Formula: | C7 H7 N O3 |
Formal charge: | 0 |
Formula weight: | 153.135 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (4-nitrophenyl)methanol |
OpenEye OEToolkits | 1.5.0 | (4-nitrophenyl)methanol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1ccc(cc1)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OCc1ccc(cc1)[N+]([O-])=O |
SMILES | CACTVS | 3.341 | OCc1ccc(cc1)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CO)[N+](=O)[O-] |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CO)[N+](=O)[O-] |
InChI | InChI | 1.03 | InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2 |
InChIKey | InChI | 1.03 | JKTYGPATCNUWKN-UHFFFAOYSA-N |