KTV
Summary
| Name: | 4-{[(3-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-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione |
| OpenEye OEToolkits | 2.0.7 | 4-[(3-hydroxyphenyl)methylamino]isoindole-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(=O)c2c(C(N1)=O)cccc2NCc3cc(O)ccc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H12N2O3/c18-10-4-1-3-9(7-10)8-16-12-6-2-5-11-13(12)15(20)17-14(11)19/h1-7,16,18H,8H2,(H,17,19,20) |
| InChIKey | InChI | 1.03 | XKXCBNSHVAFYGP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(CNc2cccc3C(=O)NC(=O)c23)c1 |
| SMILES | CACTVS | 3.385 | Oc1cccc(CNc2cccc3C(=O)NC(=O)c23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)O)CNc2cccc3c2C(=O)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)O)CNc2cccc3c2C(=O)NC3=O |
