| PDB CCD ID: | A1L2E |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H13 N O4 |
| InChI: | 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: | RCYKWQHJOBNQFZ-OAHLLOKOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc(cc1)c2ccc(c(c2)N(=O)=O)C[C@H]3C=CC(=O)O3 | | CACTVS 3.385 | O=C1O[CH](Cc2ccc(cc2[N](=O)=O)c3ccccc3)C=C1 | | CACTVS 3.385 | O=C1O[C@@H](Cc2ccc(cc2[N](=O)=O)c3ccccc3)C=C1 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)c2ccc(c(c2)N(=O)=O)CC3C=CC(=O)O3 |
|
| Name: | (2~{S})-2-[(2-nitro-4-phenyl-phenyl)methyl]-2~{H}-furan-5-one |
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