Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(cc1)\C=N\N=C4/c2ccccc2c3c4cccc3 |
InChI | InChI | 1.03 | InChI=1S/C21H14N2O2/c24-21(25)15-11-9-14(10-12-15)13-22-23-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-13H,(H,24,25)/b22-13+ |
InChIKey | InChI | 1.03 | UDYNXPSETJWNEU-LPYMAVHISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1)\C=N\N=C2c3ccccc3c4ccccc24 |
SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1)C=NN=C2c3ccccc3c4ccccc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)-c3ccccc3C2=N/N=C/c4ccc(cc4)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)-c3ccccc3C2=NN=Cc4ccc(cc4)C(=O)O |