Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c14c(cccc1c3cccc2ccccc23)nc(C(O)=O)c4 |
InChI | InChI | 1.03 | InChI=1S/C19H13NO2/c21-19(22)18-11-16-15(9-4-10-17(16)20-18)14-8-3-6-12-5-1-2-7-13(12)14/h1-11,20H,(H,21,22) |
InChIKey | InChI | 1.03 | QVAVQSOUZBBMKK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1[nH]c2cccc(c2c1)c3cccc4ccccc34 |
SMILES | CACTVS | 3.385 | OC(=O)c1[nH]c2cccc(c2c1)c3cccc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)cccc2c3cccc4c3cc([nH]4)C(=O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)cccc2c3cccc4c3cc([nH]4)C(=O)O |