NYQ
Summary
Name: | 5-bromanyl-1,3-dihydroindol-2-one |
Formula: | C8 H6 Br N O |
Formal charge: | 0 |
Formula weight: | 212.043 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 5-bromanyl-1,3-dihydroindol-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11) |
InChIKey | InChI | 1.03 | VIMNAEVMZXIKFL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc2NC(=O)Cc2c1 |
SMILES | CACTVS | 3.385 | Brc1ccc2NC(=O)Cc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Br)CC(=O)N2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Br)CC(=O)N2 |