AJY
Summary
| Name: | (3Z)-6-bromo-3-(hydroxyimino)-5-methyl-1,3-dihydro-2H-indol-2-one |
| Formula: | C9 H7 Br N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 255.068 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3Z)-6-bromo-3-(hydroxyimino)-5-methyl-1,3-dihydro-2H-indol-2-one |
| OpenEye OEToolkits | 2.0.6 | (3~{Z})-6-bromanyl-3-hydroxyimino-5-methyl-1~{H}-indol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c/12c(NC(=O)C\1=N\O)cc(c(c2)C)Br |
| InChI | InChI | 1.03 | InChI=1S/C9H7BrN2O2/c1-4-2-5-7(3-6(4)10)11-9(13)8(5)12-14/h2-3,14H,1H3,(H,11,12,13) |
| InChIKey | InChI | 1.03 | AGNBDYDENXJXFC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc\2c(NC(=O)C\2=N\O)cc1Br |
| SMILES | CACTVS | 3.385 | Cc1cc2c(NC(=O)C2=NO)cc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc\2c(cc1Br)NC(=O)/C2=N\O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1Br)NC(=O)C2=NO |
