Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1c(ccnc1)Cc2ccccc2)NNC(=O)\C=C\C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C17H15N3O4/c21-15(6-7-16(22)23)19-20-17(24)14-11-18-9-8-13(14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,21)(H,20,24)(H,22,23)/b7-6+ |
InChIKey | InChI | 1.03 | OYQFTVWCICJGMS-VOTSOKGWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)\C=C\C(=O)NNC(=O)c1cnccc1Cc2ccccc2 |
SMILES | CACTVS | 3.385 | OC(=O)C=CC(=O)NNC(=O)c1cnccc1Cc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Cc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Cc2ccncc2C(=O)NNC(=O)C=CC(=O)O |