S4I
Summary
| Name: | 1-[(4-chlorophenyl)methyl]-3,4-dihydroxy-1,5-dihydro-2H-pyrrol-2-one |
| Formula: | C11 H10 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 239.655 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[(4-chlorophenyl)methyl]-3,4-dihydroxy-1,5-dihydro-2H-pyrrol-2-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-[(4-chlorophenyl)methyl]-3,4-bis(oxidanyl)-2~{H}-pyrrol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1ccc(CN2CC(O)=C(O)C2=O)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H10ClNO3/c12-8-3-1-7(2-4-8)5-13-6-9(14)10(15)11(13)16/h1-4,14-15H,5-6H2 |
| InChIKey | InChI | 1.06 | OOPDMUUQOKZZDG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=C(O)C(=O)N(C1)Cc2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | OC1=C(O)C(=O)N(C1)Cc2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1CN2CC(=C(C2=O)O)O)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1CN2CC(=C(C2=O)O)O)Cl |
