Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c3ccc(c1ccc2c(c1)NC(=O)C=C2C)c(Cl)c3 |
InChI | InChI | 1.03 | InChI=1S/C17H12ClNO3/c1-9-6-16(20)19-15-8-10(2-4-12(9)15)13-5-3-11(17(21)22)7-14(13)18/h2-8H,1H3,(H,19,20)(H,21,22) |
InChIKey | InChI | 1.03 | PGFIIDLKOWRJOX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC1=CC(=O)Nc2cc(ccc12)c3ccc(cc3Cl)C(O)=O |
SMILES | CACTVS | 3.370 | CC1=CC(=O)Nc2cc(ccc12)c3ccc(cc3Cl)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)O |