PV1
Summary
| Name: | (5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2H-isoindol-2-yl)methanone |
| Formula: | C15 H12 Br N O3 |
| Formal charge: | 0 |
| Formula weight: | 334.165 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2H-isoindol-2-yl)methanone |
| OpenEye OEToolkits | 1.7.6 | [5-bromanyl-2,4-bis(oxidanyl)phenyl]-(1,3-dihydroisoindol-2-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cc(c(O)cc1O)C(=O)N3Cc2ccccc2C3 |
| InChI | InChI | 1.03 | InChI=1S/C15H12BrNO3/c16-12-5-11(13(18)6-14(12)19)15(20)17-7-9-3-1-2-4-10(9)8-17/h1-6,18-19H,7-8H2 |
| InChIKey | InChI | 1.03 | OTKZPCDLOLLPPV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(O)c(cc1Br)C(=O)N2Cc3ccccc3C2 |
| SMILES | CACTVS | 3.385 | Oc1cc(O)c(cc1Br)C(=O)N2Cc3ccccc3C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CN(C2)C(=O)c3cc(c(cc3O)O)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CN(C2)C(=O)c3cc(c(cc3O)O)Br |
