Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C/4c1ccccc1NC\4=C3/c2cc(Br)ccc2NC3=O |
SMILES_CANONICAL | CACTVS | 3.341 | Brc1ccc2NC(=O)/C(=C/3Nc4ccccc4C/3=O)c2c1 |
SMILES | CACTVS | 3.341 | Brc1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)Br)/N2 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)C(=C3c4cc(ccc4NC3=O)Br)N2 |
InChI | InChI | 1.03 | InChI=1S/C16H9BrN2O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)14-15(20)9-3-1-2-4-11(9)18-14/h1-7,18H,(H,19,21)/b14-13- |
InChIKey | InChI | 1.03 | IEQQJQHHJMQETK-YPKPFQOOSA-N |