DIF
Summary
Name: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID |
Synonyms: | DICLOFENAC |
Formula: | C14 H11 Cl2 N O2 |
Formal charge: | 0 |
Formula weight: | 296.149 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid |
OpenEye OEToolkits | 1.5.0 | 2-[2-[(2,6-dichlorophenyl)amino]phenyl]ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc2cccc(Cl)c2Nc1ccccc1CC(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl |
SMILES | CACTVS | 3.341 | OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) |
InChIKey | InChI | 1.03 | DCOPUUMXTXDBNB-UHFFFAOYSA-N |