Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(OC)c1c(c2cc(Br)ccc2nc1C)c3ccc(Cl)cc3 |
InChI | InChI | 1.03 | InChI=1S/C19H15BrClNO3/c1-10-16(18(25-2)19(23)24)17(11-3-6-13(21)7-4-11)14-9-12(20)5-8-15(14)22-10/h3-9,18H,1-2H3,(H,23,24)/t18-/m0/s1 |
InChIKey | InChI | 1.03 | BNDPDYQQAJUJPY-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CO[C@H](C(O)=O)c1c(C)nc2ccc(Br)cc2c1c3ccc(Cl)cc3 |
SMILES | CACTVS | 3.370 | CO[CH](C(O)=O)c1c(C)nc2ccc(Br)cc2c1c3ccc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)C(C(=O)O)OC |