| PDB CCD ID: | 393 |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C16 H13 Cl N2 O6 |
| InChI: | InChI=1S/C16H13ClN2O6/c17-11-4-5-13(14(7-11)25-9-15(20)21)16(22)18-8-10-2-1-3-12(6-10)19(23)24/h1-7H,8-9H2,(H,18,22)(H,20,21) |
| InChIKey: | VABIMMIJVWNHFI-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | OC(=O)COc1cc(Cl)ccc1C(=O)NCc2cccc(c2)[N+]([O-])=O | | ACDLabs 10.04 | O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2cccc([N+]([O-])=O)c2 | | OpenEye OEToolkits 1.5.0 | c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl |
|
| Name: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID;
IDD393 |
| ChEMBL: | CHEMBL241577 |
| DrugBank: | DB07030 |
| ZINC: | ZINC000013137481 |
umich.edu