4-(2-fluoranyl-3-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(2-fluoranyl-3-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(2-fluoro-3-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(2-fluoro-3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-fluoro-3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-fluoro-3-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C15H13FN2O6 MolecularWeight: 336.271923

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C15H13FN2O6/c1-6-10(14(19)20)12(11(15(21)22)7(2)17-6)8-4-3-5-9(13(8)16)18(23)24/h3-5,12,17H,1-2H3,(H,19,20)(H,21,22)