VFR
Summary
| Name: | (3E)-N-benzyl-3-(hydroxyamino)-3-iminopropanamide |
| Formula: | C10 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 207.229 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3E)-N-benzyl-3-(hydroxyamino)-3-iminopropanamide |
| OpenEye OEToolkits | 2.0.7 | 3-azanylidene-3-(oxidanylamino)-~{N}-(phenylmethyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N=C(NO)CC(=O)NCc1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H13N3O2/c11-9(13-15)6-10(14)12-7-8-4-2-1-3-5-8/h1-5,15H,6-7H2,(H2,11,13)(H,12,14) |
| InChIKey | InChI | 1.06 | QOJRMUCEMSJURY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=N)CC(=O)NCc1ccccc1 |
| SMILES | CACTVS | 3.385 | ONC(=N)CC(=O)NCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\CC(=O)NCc1ccccc1)/NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNC(=O)CC(=N)NO |
