Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc2c1C=CC(=O)C(=O)c1nc2 |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1c[nH]c2C(=O)C(=O)C=Cc12)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](Cc1c[nH]c2C(=O)C(=O)C=Cc12)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(c2c([nH]1)C(=O)C(=O)C=C2)C[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c(c2c([nH]1)C(=O)C(=O)C=C2)CC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C11H10N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13H,3,12H2,(H,16,17)/t7-/m0/s1 |
InChIKey | InChI | 1.03 | QNXHRZBZDHLGQO-ZETCQYMHSA-N |