Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c4cc(n3c1OC(C=C(c1c(c2ccccc2)n3)C)=O)ccc4Cl)O |
InChI | InChI | 1.03 | InChI=1S/C20H13ClN2O4/c1-11-9-16(24)27-19-17(11)18(12-5-3-2-4-6-12)22-23(19)13-7-8-15(21)14(10-13)20(25)26/h2-10H,1H3,(H,25,26) |
InChIKey | InChI | 1.03 | KSHVOJYZCBOEDY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)Oc2n(nc(c3ccccc3)c12)c4ccc(Cl)c(c4)C(O)=O |
SMILES | CACTVS | 3.385 | CC1=CC(=O)Oc2n(nc(c3ccccc3)c12)c4ccc(Cl)c(c4)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=CC(=O)Oc2c1c(nn2c3ccc(c(c3)C(=O)O)Cl)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CC(=O)Oc2c1c(nn2c3ccc(c(c3)C(=O)O)Cl)c4ccccc4 |