5-(5-methyl-4-oxidanylidene-3H-pyrazol-2-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(5-methyl-4-oxidanylidene-3H-pyrazol-2-yl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(5-methyl-4-oxo-3H-pyrazol-2-yl)benzene-1,3-dicarboxylic acid CAS Name: 5-(5-methyl-4-oxo-3H-pyrazol-2-yl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(5-methyl-4-oxo-3H-pyrazol-2-yl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(4-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(CC1=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O5/c1-6-10(15)5-14(13-6)9-3-7(11(16)17)2-8(4-9)12(18)19/h2-4H,5H2,1H3,(H,16,17)(H,18,19)