Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c3cc2c(c1ccccc1cc2)n3CC(=O)O |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)Cn1c(cc2ccc3ccccc3c12)C(O)=O |
SMILES | CACTVS | 3.370 | OC(=O)Cn1c(cc2ccc3ccccc3c12)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C15H11NO4/c17-13(18)8-16-12(15(19)20)7-10-6-5-9-3-1-2-4-11(9)14(10)16/h1-7H,8H2,(H,17,18)(H,19,20) |
InChIKey | InChI | 1.03 | AKGLRHRNGGDMDM-UHFFFAOYSA-N |