PDB CCD ID: | XXN |
Number of entries in BioLiP: | 3 |
Chemical formula: | C8 H5 Cl2 N O2 |
InChI: | InChI=1S/C8H5Cl2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2,7,12H,(H,11,13)/t7-/m0/s1 |
InChIKey: | JSUBYQLEJVQEIU-ZETCQYMHSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | O[C@@H]1C(=O)Nc2c(Cl)ccc(Cl)c12 | CACTVS 3.385 | O[CH]1C(=O)Nc2c(Cl)ccc(Cl)c12 | OpenEye OEToolkits 2.0.7 | c1cc(c2c(c1Cl)C(C(=O)N2)O)Cl | OpenEye OEToolkits 2.0.7 | c1cc(c2c(c1Cl)[C@@H](C(=O)N2)O)Cl | ACDLabs 12.01 | Clc1ccc(Cl)c2c1NC(=O)C2O |
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Name: | (3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one |