J2W
Summary
| Name: | ~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide |
| Formula: | C15 H15 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 285.298 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H15N3O3/c1-21-12-4-2-3-11(13(12)19)15(20)18-10-7-5-9(6-8-10)14(16)17/h2-8,19H,1H3,(H3,16,17)(H,18,20) |
| InChIKey | InChI | 1.03 | FRAFAKWXNNKJCF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1O)C(=O)Nc2ccc(cc2)C(N)=N |
| SMILES | CACTVS | 3.385 | COc1cccc(c1O)C(=O)Nc2ccc(cc2)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OC)\N |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1O)C(=O)Nc2ccc(cc2)C(=N)N |
