PDB CCD ID: | 3M1 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C13 H8 F N O5 |
InChI: | InChI=1S/C13H8FNO5/c14-9-4-2-1-3-8(9)12(17)7-5-10(15(19)20)13(18)11(16)6-7/h1-6,16,18H |
InChIKey: | RQPAUNZYTYHKHA-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.7.0 | c1ccc(c(c1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])F | CACTVS 3.370 | Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2ccccc2F | ACDLabs 12.01 | Fc2ccccc2C(=O)c1cc([N+]([O-])=O)c(O)c(O)c1 |
|
Name: | (3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone |
ChEMBL: | CHEMBL1256291 |
ZINC: | ZINC000036384898 |