Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c5c3cccc4C(=O)n1c(nc2ccccc12)c(c34)cc5 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccc2c3nc4ccccc4n3C(=O)c5cccc1c25 |
SMILES | CACTVS | 3.341 | OC(=O)c1ccc2c3nc4ccccc4n3C(=O)c5cccc1c25 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24) |
InChIKey | InChI | 1.03 | MYKOWOGZBMOVBJ-UHFFFAOYSA-N |