Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)COc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3 |
InChI | InChI | 1.03 | InChI=1S/C16H12N2O4/c19-14(20)9-22-11-7-5-10(6-8-11)15-17-13-4-2-1-3-12(13)16(21)18-15/h1-8H,9H2,(H,19,20)(H,17,18,21) |
InChIKey | InChI | 1.03 | NQBPCQCEUSKHLK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
SMILES | CACTVS | 3.385 | OC(=O)COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)OCC(=O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)OCC(=O)O |