6-methyl-4-[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]-1,4-dihydropyridazine-3,5-dicarboxylic acid

Systemtic Name: 6-methyl-4-[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]-1,4-dihydropyridazine-3,5-dicarboxylic acid Openeye Name: 4-[4-(2-hydroxy-1-methyl-2-oxo-ethyl)phenyl]-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid CAS Name: 4-[4-(1-hydroxy-1-oxopropan-2-yl)phenyl]-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid IUPAC Name: 4-[4-(1-hydroxy-1-oxopropan-2-yl)phenyl]-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid Traditional Name: 4-[4-(2-hydroxy-2-keto-1-methyl-ethyl)phenyl]-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=NN1)C(=O)O)C2=CC=C(C=C2)C(C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(C(=NN1)C(=O)O)C2=CC=C(C=C2)C(C)C(=O)O)C(=O)O

InChI

InChI=1S/C16H16N2O6/c1-7(14(19)20)9-3-5-10(6-4-9)12-11(15(21)22)8(2)17-18-13(12)16(23)24/h3-7,12,17H,1-2H3,(H,19,20)(H,21,22)(H,23,24)