VE6
Summary
| Name: | 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid |
| Synonyms: | 2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid |
| Formula: | C16 H10 Br N O4 |
| Formal charge: | 0 |
| Formula weight: | 360.159 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H10BrNO4/c17-9-1-6-14-12(7-9)13(15(20)16(21)22)8-18(14)10-2-4-11(19)5-3-10/h1-8,19H,(H,21,22) |
| InChIKey | InChI | 1.06 | NEGBLGBTHUZBGM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(Br)ccc23 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(Br)ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1n2cc(c3c2ccc(c3)Br)C(=O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1n2cc(c3c2ccc(c3)Br)C(=O)C(=O)O)O |
