H32
Summary
| Name: | 2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid |
| Formula: | C15 H10 F N O4 |
| Formal charge: | 0 |
| Formula weight: | 287.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H10FNO4/c16-11-6-9(4-5-12(11)18)17-7-8-2-1-3-10(15(20)21)13(8)14(17)19/h1-6,18H,7H2,(H,20,21) |
| InChIKey | InChI | 1.03 | KXNOWKVHICTJLR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc2CN(C(=O)c12)c3ccc(O)c(F)c3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc2CN(C(=O)c12)c3ccc(O)c(F)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc2c(c(c1)C(=O)O)C(=O)N(C2)c3ccc(c(c3)F)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc2c(c(c1)C(=O)O)C(=O)N(C2)c3ccc(c(c3)F)O |
