9A9
Summary
| Name: | N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide |
| Formula: | C14 H21 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 279.335 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-[methyl-[4-(oxidanylamino)-4-oxidanylidene-butyl]amino]ethyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCN(C)CCCC(=O)NO)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C14H21N3O3/c1-17(10-5-8-13(18)16-20)11-9-15-14(19)12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,19)(H,16,18) |
| InChIKey | InChI | 1.03 | WOJAVXMANLPPBT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCCC(=O)NO)CCNC(=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | CN(CCCC(=O)NO)CCNC(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCCC(=O)NO)CCNC(=O)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCCC(=O)NO)CCNC(=O)c1ccccc1 |
