I62
Summary
| Name: | ~{N}-[(~{E})-3-(diethylamino)prop-2-enyl]-4-methyl-3-nitro-benzamide |
| Formula: | C15 H22 N3 O3 |
| Formal charge: | 1 |
| Formula weight: | 292.353 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [5-[[(~{E})-3-(diethylamino)prop-2-enyl]carbamoyl]-2-methyl-phenyl]-oxidanyl-oxidanylidene-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H21N3O3/c1-4-17(5-2)10-6-9-16-15(19)13-8-7-12(3)14(11-13)18(20)21/h6-8,10-11H,4-5,9H2,1-3H3,(H-,16,19,20,21)/p+1/b10-6+ |
| InChIKey | InChI | 1.06 | GTWFMEPPTBDZDY-UXBLZVDNSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)/C=C/CNC(=O)c1ccc(C)c(c1)[N+](O)=O |
| SMILES | CACTVS | 3.385 | CCN(CC)C=CCNC(=O)c1ccc(C)c(c1)[N+](O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)/C=C/CNC(=O)c1ccc(c(c1)[N+](=O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)C=CCNC(=O)c1ccc(c(c1)[N+](=O)O)C |
