Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H13N3O5/c1-9-6-14(20-25-9)16(22)19-11-2-3-15(21)12(8-11)13-7-10(17(23)24)4-5-18-13/h2-8,21H,1H3,(H,19,22)(H,23,24) |
InChIKey | InChI | 1.03 | SXVDKQLIPBWXCB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(c1)C(=O)Nc2ccc(O)c(c2)c3cc(ccn3)C(O)=O |
SMILES | CACTVS | 3.385 | Cc1onc(c1)C(=O)Nc2ccc(O)c(c2)c3cc(ccn3)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(no1)C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(no1)C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O |