V41
Summary
| Name: | (2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide |
| Formula: | C9 H11 N5 O |
| Formal charge: | 0 |
| Formula weight: | 205.217 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-3-azanyl-3-azanylidene-2-[(~{E})-phenyldiazenyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(=N/C(C(N)=O)/C(N)=N)\c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C9H11N5O/c10-8(11)7(9(12)15)14-13-6-4-2-1-3-5-6/h1-5,7H,(H3,10,11)(H2,12,15)/b14-13+/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | IWQCRGGEGLIWHV-KJZWZZJGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)[C@@H](N=Nc1ccccc1)C(N)=O |
| SMILES | CACTVS | 3.385 | NC(=N)[CH](N=Nc1ccccc1)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/[C@H](C(=O)N)/N=N/c1ccccc1)\N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N=NC(C(=N)N)C(=O)N |
