VUE
Summary
Name: | 2-(4-chloro-2-nitroanilino)ethan-1-ol |
Formula: | C8 H9 Cl N2 O3 |
Formal charge: | 0 |
Formula weight: | 216.622 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2-(4-chloro-2-nitroanilino)ethan-1-ol |
OpenEye OEToolkits | 2.0.7 | 2-[(4-chloranyl-2-nitro-phenyl)amino]ethanol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(c(NCCO)cc1)N(=O)=O |
InChI | InChI | 1.06 | InChI=1S/C8H9ClN2O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4H2 |
InChIKey | InChI | 1.06 | LGGKGPQFSCBUOR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCCNc1ccc(Cl)cc1[N](=O)=O |
SMILES | CACTVS | 3.385 | OCCNc1ccc(Cl)cc1[N](=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cl)N(=O)=O)NCCO |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cl)N(=O)=O)NCCO |