UXA
Summary
| Name: | ~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide |
| Formula: | C11 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 205.21 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-cyclopropyl-2H-1,3-benzodioxole-5-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cc2c(cc1)OCO2)C(NC3CC3)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H11NO3/c13-11(12-8-2-3-8)7-1-4-9-10(5-7)15-6-14-9/h1,4-5,8H,2-3,6H2,(H,12,13) |
| InChIKey | InChI | 1.03 | OUGQMSXIPFSZBI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NC1CC1)c2ccc3OCOc3c2 |
| SMILES | CACTVS | 3.385 | O=C(NC1CC1)c2ccc3OCOc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)NC3CC3)OCO2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)NC3CC3)OCO2 |
