Y6C
Summary
| Name: | 4-oxidanylidene-4-(1,10-phenanthrolin-5-ylamino)but-2-enoic acid |
| Formula: | C16 H11 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 293.277 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-oxidanylidene-4-(1,10-phenanthrolin-5-ylamino)but-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H11N3O3/c20-13(5-6-14(21)22)19-12-9-10-3-1-7-17-15(10)16-11(12)4-2-8-18-16/h1-9H,(H,19,20)(H,21,22)/b6-5- |
| InChIKey | InChI | 1.06 | TVPGTODVJPAAAB-WAYWQWQTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)\C=C/C(=O)Nc1cc2cccnc2c3ncccc13 |
| SMILES | CACTVS | 3.385 | OC(=O)C=CC(=O)Nc1cc2cccnc2c3ncccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cc(c3cccnc3c2nc1)NC(=O)C=CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cc(c3cccnc3c2nc1)NC(=O)C=CC(=O)O |
