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

Systemtic Name: 4-(4-fluoranyl-3-nitro-phenyl)-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid Openeye Name: 4-(4-fluoro-3-nitro-phenyl)-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid CAS Name: 4-(4-fluoro-3-nitrophenyl)-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid IUPAC Name: 4-(4-fluoro-3-nitrophenyl)-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid Traditional Name: 4-(4-fluoro-3-nitro-phenyl)-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid Formula: C14H12FN3O6 MolecularWeight: 337.259983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12FN3O6/c1-6-11(13(19)20)17(12(14(21)22)7(2)16-6)8-3-4-9(15)10(5-8)18(23)24/h3-5,16H,1-2H3,(H,19,20)(H,21,22)