5-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzene-1,3-dicarboxylic acid CAS Name: 5-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(5-keto-3-methyl-2-pyrazolin-1-yl)isophthalic acid Formula: C12H10N2O5 MolecularWeight: 262.2182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C12H10N2O5/c1-6-2-10(15)14(13-6)9-4-7(11(16)17)3-8(5-9)12(18)19/h3-5H,2H2,1H3,(H,16,17)(H,18,19)