9RB
Summary
| Name: | (2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide |
| Formula: | C15 H17 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 299.328 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (~{E})-~{N}-oxidanyl-3-[4-[(~{E})-(1,3,5-trimethylpyrazol-4-yl)diazenyl]phenyl]prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H17N5O2/c1-10-15(11(2)20(3)18-10)17-16-13-7-4-12(5-8-13)6-9-14(21)19-22/h4-9,22H,1-3H3,(H,19,21)/b9-6+,17-16+ |
| InChIKey | InChI | 1.03 | GGZOJTXQALEQJU-OUWLFTCQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)c(N=Nc2ccc(\C=C\C(=O)NO)cc2)c1C |
| SMILES | CACTVS | 3.385 | Cn1nc(C)c(N=Nc2ccc(C=CC(=O)NO)cc2)c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1c(c(n(n1)C)C)/N=N/c2ccc(cc2)/C=C/C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1c(c(n(n1)C)C)N=Nc2ccc(cc2)C=CC(=O)NO |
