Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2c1c(c(N)ccc1N)C(=O)c3c2c(O)ccc3O |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1ccc(N)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 |
SMILES | CACTVS | 3.341 | Nc1ccc(N)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)N |
InChI | InChI | 1.03 | InChI=1S/C14H10N2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H,15-16H2 |
InChIKey | InChI | 1.03 | QVEMRPAUHFWHRV-UHFFFAOYSA-N |