2,6-dimethyl-4-(2-methylsulfinyl-5-nitro-phenyl)pyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-4-(2-methylsulfinyl-5-nitro-phenyl)pyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-(2-methylsulfinyl-5-nitro-phenyl)pyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-(2-methylsulfinyl-5-nitrophenyl)pyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-(2-methylsulfinyl-5-nitrophenyl)pyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-(2-methylsulfinyl-5-nitro-phenyl)dinicotinic acid Formula: C16H14N2O7S MolecularWeight: 378.35656

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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-])S(=O)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O7S/c1-7-12(15(19)20)14(13(16(21)22)8(2)17-7)10-6-9(18(23)24)4-5-11(10)26(3)25/h4-6H,1-3H3,(H,19,20)(H,21,22)