1-(2-methyl-4-oxidanyl-phenyl)-6-[(4-nitrophenyl)sulfanylmethyl]-4-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-(2-methyl-4-oxidanyl-phenyl)-6-[(4-nitrophenyl)sulfanylmethyl]-4-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-(4-hydroxy-2-methyl-phenyl)-6-[(4-nitrophenyl)sulfanylmethyl]-4-oxo-pyridine-3-carboxylic acid CAS Name: 1-(4-hydroxy-2-methylphenyl)-6-[[(4-nitrophenyl)thio]methyl]-4-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-(4-hydroxy-2-methylphenyl)-6-[(4-nitrophenyl)sulfanylmethyl]-4-oxopyridine-3-carboxylic acid Traditional Name: 1-(4-hydroxy-2-methyl-phenyl)-4-keto-6-[[(4-nitrophenyl)thio]methyl]nicotinic acid Formula: C20H16N2O6S MolecularWeight: 412.41584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C=C2CSC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C=C2CSC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H16N2O6S/c1-12-8-15(23)4-7-18(12)21-10-17(20(25)26)19(24)9-14(21)11-29-16-5-2-13(3-6-16)22(27)28/h2-10,23H,11H2,1H3,(H,25,26)