A1L2E
Summary
| Name: | (2~{S})-2-[(2-nitro-4-phenyl-phenyl)methyl]-2~{H}-furan-5-one |
| Formula: | C17 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 295.289 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[(2-nitro-4-phenyl-phenyl)methyl]-2~{H}-furan-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H13NO4/c19-17-9-8-15(22-17)10-14-7-6-13(11-16(14)18(20)21)12-4-2-1-3-5-12/h1-9,11,15H,10H2/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | RCYKWQHJOBNQFZ-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1O[C@@H](Cc2ccc(cc2[N](=O)=O)c3ccccc3)C=C1 |
| SMILES | CACTVS | 3.385 | O=C1O[CH](Cc2ccc(cc2[N](=O)=O)c3ccccc3)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(c(c2)N(=O)=O)C[C@H]3C=CC(=O)O3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(c(c2)N(=O)=O)CC3C=CC(=O)O3 |
