Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc1cc(cc(Br)c1O)\C=C3/c2cc(I)ccc2NC3=O |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1c(Br)cc(cc1Br)\C=C/2C(=O)Nc3ccc(I)cc/23 |
SMILES | CACTVS | 3.341 | Oc1c(Br)cc(cc1Br)C=C2C(=O)Nc3ccc(I)cc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1I)/C(=C\c3cc(c(c(c3)Br)O)Br)/C(=O)N2 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1I)C(=Cc3cc(c(c(c3)Br)O)Br)C(=O)N2 |
InChI | InChI | 1.03 | InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3+ |
InChIKey | InChI | 1.03 | LMXYVLFTZRPNRV-XCVCLJGOSA-N |