1KP
Summary
| Name: | (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one |
| Formula: | C8 H4 Cl2 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 231.036 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one |
| OpenEye OEToolkits | 1.7.6 | 6,7-bis(chloranyl)-3-hydroxyimino-1H-indol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc\2c(c1Cl)NC(=O)C/2=N\O |
| InChI | InChI | 1.03 | InChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,14H,(H,11,12,13) |
| InChIKey | InChI | 1.03 | CVOUSAVHMDXCKG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O\N=C/1C(=O)Nc2c(Cl)c(Cl)ccc/12 |
| SMILES | CACTVS | 3.370 | ON=C1C(=O)Nc2c(Cl)c(Cl)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c2c1C(=NO)C(=O)N2)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c2c1C(=NO)C(=O)N2)Cl)Cl |
