Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cc(c3c(c1N)C(c2c(cccc2)C3=O)=O)O)C(O)=O |
InChI | InChI | 1.03 | InChI=1S/C15H9NO5/c16-12-8(15(20)21)5-9(17)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H2,(H,20,21) |
InChIKey | InChI | 1.03 | MQFPVUCMBCTZAD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1c(cc(O)c2C(=O)c3ccccc3C(=O)c12)C(O)=O |
SMILES | CACTVS | 3.385 | Nc1c(cc(O)c2C(=O)c3ccccc3C(=O)c12)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)C(=O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)C(=O)O)O |