JGM
Summary
| Name: | {N}-[(2~{S})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide |
| Formula: | C11 H15 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 237.255 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide (non-preferred name) |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(2~{S})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccc(CC(NC(C)=O)C(=O)NN)cc1)O |
| InChI | InChI | 1.03 | InChI=1S/C11H15N3O3/c1-7(15)13-10(11(17)14-12)6-8-2-4-9(16)5-3-8/h2-5,10,16H,6,12H2,1H3,(H,13,15)(H,14,17)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | CRZZRSWETKBGET-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NN |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH](Cc1ccc(O)cc1)C(=O)NN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NN |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NC(Cc1ccc(cc1)O)C(=O)NN |
