V2X
Summary
| Name: | (1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide |
| Formula: | C13 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 232.278 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H16N2O2/c1-8-4-3-5-10(6-8)11-7-12(11)13(17)15-14-9(2)16/h3-6,11-12H,7H2,1-2H3,(H,14,16)(H,15,17)/t11-,12+/m1/s1 |
| InChIKey | InChI | 1.06 | ZZBMEPNWKSBENV-NEPJUHHUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NNC(=O)[C@H]1C[C@@H]1c2cccc(C)c2 |
| SMILES | CACTVS | 3.385 | CC(=O)NNC(=O)[CH]1C[CH]1c2cccc(C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)[C@H]2C[C@@H]2C(=O)NNC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)C2CC2C(=O)NNC(=O)C |
