A1IL4
Summary
| Name: | (~{E})-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoic acid |
| Formula: | C14 H8 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 284.224 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H8N2O5/c15-8-9(14(17)18)7-10-5-6-13(21-10)11-3-1-2-4-12(11)16(19)20/h1-7H,(H,17,18)/b9-7+ |
| InChIKey | InChI | 1.06 | YLPDIFBYWSZEDK-VQHVLOKHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(=C/c1oc(cc1)c2ccccc2[N](=O)=O)/C#N |
| SMILES | CACTVS | 3.385 | OC(=O)C(=Cc1oc(cc1)c2ccccc2[N](=O)=O)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2ccc(o2)/C=C(\C#N)/C(=O)O)N(=O)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2ccc(o2)C=C(C#N)C(=O)O)N(=O)=O |
