Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CO\N=C3/C4=CC=CCC4=N/C3=C1/C2=CC=CCC2=NC1=O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CO\N=C\1C2=CC=CCC2=NC\1=C3\C(=O)N=C4CC=CC=C34 |
SMILES | CACTVS | 3.341 | OC(=O)CON=C1C2=CC=CCC2=NC1=C3C(=O)N=C4CC=CC=C34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C=CC=C\2C1=N/C(=C\3/C4=CC=CCC4=NC3=O)/C2=N/OCC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1C=CC=C2C1=NC(=C3C4=CC=CCC4=NC3=O)C2=NOCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C18H13N3O4/c22-14(23)9-25-21-16-11-6-2-4-8-13(11)19-17(16)15-10-5-1-3-7-12(10)20-18(15)24/h1-6H,7-9H2,(H,22,23)/b17-15-,21-16+ |
InChIKey | InChI | 1.03 | BFQRPTKOSYMPOL-LALPNIDTSA-N |