JOF
Summary
| Name: | 5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one |
| Formula: | C11 H9 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 236.654 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one |
| OpenEye OEToolkits | 2.0.7 | 5-chloranyl-2-methyl-8-oxidanyl-1,4-dihydropyrrolo[3,4-b]indol-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2[NH]c3c(Cl)ccc(O)c3c2CN1C |
| InChI | InChI | 1.03 | InChI=1S/C11H9ClN2O2/c1-14-4-5-8-7(15)3-2-6(12)10(8)13-9(5)11(14)16/h2-3,13,15H,4H2,1H3 |
| InChIKey | InChI | 1.03 | VCDDTNDQCNEJNO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1Cc2c([nH]c3c(Cl)ccc(O)c23)C1=O |
| SMILES | CACTVS | 3.385 | CN1Cc2c([nH]c3c(Cl)ccc(O)c23)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1Cc2c3c(ccc(c3[nH]c2C1=O)Cl)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1Cc2c3c(ccc(c3[nH]c2C1=O)Cl)O |
