Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(NC=O)Cc1c[NH]c2ccccc21 |
InChI | InChI | 1.03 | InChI=1S/C12H12N2O3/c15-7-14-11(12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2,(H,14,15)(H,16,17)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | RNEMLJPSSOJRHX-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=O |
SMILES | CACTVS | 3.385 | OC(=O)[CH](Cc1c[nH]c2ccccc12)NC=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)NC=O |