5LP
Summary
| Name: | 2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid |
| Formula: | C15 H14 Cl N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 319.743 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H14ClN3O3/c1-8-2-4-10(14(20)21)13(6-8)19-15(22)18-12-5-3-9(16)7-11(12)17/h2-7H,17H2,1H3,(H,20,21)(H2,18,19,22) |
| InChIKey | InChI | 1.03 | OVROHYZIQZOIGO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(C(O)=O)c(NC(=O)Nc2ccc(Cl)cc2N)c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(C(O)=O)c(NC(=O)Nc2ccc(Cl)cc2N)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)Cl)C(=O)O |
