Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)c1nc2ccccc2cc1O)CO |
SMILES_CANONICAL | CACTVS | 3.352 | OC[C@@H](NC(=O)c1nc2ccccc2cc1O)C(O)=O |
SMILES | CACTVS | 3.352 | OC[CH](NC(=O)c1nc2ccccc2cc1O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc2c(c1)cc(c(n2)C(=O)N[C@H](CO)C(=O)O)O |
SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc2c(c1)cc(c(n2)C(=O)NC(CO)C(=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C13H12N2O5/c16-6-9(13(19)20)15-12(18)11-10(17)5-7-3-1-2-4-8(7)14-11/h1-5,9,16-17H,6H2,(H,15,18)(H,19,20)/t9-/m1/s1 |
InChIKey | InChI | 1.03 | BTUDZNSKPNNMTD-SECBINFHSA-N |