W3Q
Summary
| Name: | N-[(2-methoxyphenyl)methyl]urea |
| Formula: | C9 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 180.204 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2-methoxyphenyl)methyl]urea |
| OpenEye OEToolkits | 2.0.7 | 1-[(2-methoxyphenyl)methyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccccc1CNC(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C9H12N2O2/c1-13-8-5-3-2-4-7(8)6-11-9(10)12/h2-5H,6H2,1H3,(H3,10,11,12) |
| InChIKey | InChI | 1.06 | BKNUTQQQAPBRAR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1CNC(N)=O |
| SMILES | CACTVS | 3.385 | COc1ccccc1CNC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccccc1CNC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccccc1CNC(=O)N |
