5-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)benzene-1,3-dicarboxylic acid CAS Name: 5-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(3-methyl-5-phenyl-2-pyrazolin-1-yl)isophthalic acid Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)C2=CC=CC=C2)C3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=NN(C(C1)C2=CC=CC=C2)C3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H16N2O4/c1-11-7-16(12-5-3-2-4-6-12)20(19-11)15-9-13(17(21)22)8-14(10-15)18(23)24/h2-6,8-10,16H,7H2,1H3,(H,21,22)(H,23,24)