KTM
Summary
| Name: | 4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione |
| Formula: | C15 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 268.267 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione |
| OpenEye OEToolkits | 2.0.7 | 4-[(2-hydroxyphenyl)methylamino]isoindole-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c21cccc(c1C(NC2=O)=O)NCc3c(cccc3)O |
| InChI | InChI | 1.03 | InChI=1S/C15H12N2O3/c18-12-7-2-1-4-9(12)8-16-11-6-3-5-10-13(11)15(20)17-14(10)19/h1-7,16,18H,8H2,(H,17,19,20) |
| InChIKey | InChI | 1.03 | LGIZVMOUWUZRKO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccccc1CNc2cccc3C(=O)NC(=O)c23 |
| SMILES | CACTVS | 3.385 | Oc1ccccc1CNc2cccc3C(=O)NC(=O)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O |
