951
Summary
| Name: | 2-[(2E)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]benzoic acid |
| Formula: | C18 H13 Cl N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 340.76 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 2-[(2E)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)c1ccccc1N/N=C/c2oc(cc2)c3ccccc3Cl |
| SMILES | CACTVS | 3.352 | OC(=O)c1ccccc1NN=Cc2oc(cc2)c3ccccc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)c2ccc(o2)/C=N/Nc3ccccc3C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)c2ccc(o2)C=NNc3ccccc3C(=O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C18H13ClN2O3/c19-15-7-3-1-5-13(15)17-10-9-12(24-17)11-20-21-16-8-4-2-6-14(16)18(22)23/h1-11,21H,(H,22,23)/b20-11+ |
| InChIKey | InChI | 1.03 | NMDZDMNJLCAJMA-RGVLZGJSSA-N |
