4-(2-fluoranyl-5-nitro-phenyl)-5-methoxycarbonyl-2,6-dimethyl-pyridine-3-carboxylic acid

Systemtic Name: 4-(2-fluoranyl-5-nitro-phenyl)-5-methoxycarbonyl-2,6-dimethyl-pyridine-3-carboxylic acid Openeye Name: 4-(2-fluoro-5-nitro-phenyl)-5-methoxycarbonyl-2,6-dimethyl-pyridine-3-carboxylic acid CAS Name: 4-(2-fluoro-5-nitrophenyl)-5-methoxycarbonyl-2,6-dimethyl-3-pyridinecarboxylic acid IUPAC Name: 4-(2-fluoro-5-nitrophenyl)-5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid Traditional Name: 5-carbomethoxy-4-(2-fluoro-5-nitro-phenyl)-2,6-dimethyl-nicotinic acid Formula: C16H13FN2O6 MolecularWeight: 348.282623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])F)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])F)C(=O)OC

InChI

InChI=1S/C16H13FN2O6/c1-7-12(15(20)21)14(13(8(2)18-7)16(22)25-3)10-6-9(19(23)24)4-5-11(10)17/h4-6H,1-3H3,(H,20,21)