Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCc1ccc2N|3=Cc4ccccc4O[Cr+]|3Oc2c1 |
SMILES | CACTVS | 3.341 | OC(=O)CCc1ccc2N|3=Cc4ccccc4O[Cr+]|3Oc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C=[N]3c4ccc(cc4O[Cr+]3O2)CCC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C=[N]3c4ccc(cc4O[Cr+]3O2)CCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C16H15NO4.Cr/c18-14-4-2-1-3-12(14)10-17-13-7-5-11(9-15(13)19)6-8-16(20)21;/h1-5,7,9-10,18-19H,6,8H2,(H,20,21);/q;+3/p-2/b17-10+; |
InChIKey | InChI | 1.03 | PQEURDOLYHRQIK-LZMXEPDESA-L |