Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1cc(ccc1)NC(Nc2ccc(Br)cc2)=O)O |
InChI | InChI | 1.03 | InChI=1S/C14H11BrN2O3/c15-10-4-6-11(7-5-10)16-14(20)17-12-3-1-2-9(8-12)13(18)19/h1-8H,(H,18,19)(H2,16,17,20) |
InChIKey | InChI | 1.03 | XLDDBXYVKMODRJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(NC(=O)Nc2ccc(Br)cc2)c1 |
SMILES | CACTVS | 3.385 | OC(=O)c1cccc(NC(=O)Nc2ccc(Br)cc2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Br)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Br)C(=O)O |