Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | Brc1cc(cc(Br)c1N)\C=C\c2c(OC)cccc2OC |
SMILES_CANONICAL | CACTVS | 3.352 | COc1cccc(OC)c1\C=C\c2cc(Br)c(N)c(Br)c2 |
SMILES | CACTVS | 3.352 | COc1cccc(OC)c1C=Cc2cc(Br)c(N)c(Br)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cccc(c1/C=C/c2cc(c(c(c2)Br)N)Br)OC |
SMILES | OpenEye OEToolkits | 1.7.0 | COc1cccc(c1C=Cc2cc(c(c(c2)Br)N)Br)OC |
InChI | InChI | 1.03 | InChI=1S/C16H15Br2NO2/c1-20-14-4-3-5-15(21-2)11(14)7-6-10-8-12(17)16(19)13(18)9-10/h3-9H,19H2,1-2H3/b7-6+ |
InChIKey | InChI | 1.03 | HGWBUXCGPMRHAS-VOTSOKGWSA-N |