2-[(1,4-diphenylpyrazol-3-yl)methyl]propanedioic acid

Systemtic Name: 2-[(1,4-diphenylpyrazol-3-yl)methyl]propanedioic acid Openeye Name: 2-[(1,4-diphenylpyrazol-3-yl)methyl]propanedioic acid CAS Name: 2-[(1,4-diphenyl-3-pyrazolyl)methyl]propanedioic acid IUPAC Name: 2-[(1,4-diphenylpyrazol-3-yl)methyl]propanedioic acid Traditional Name: 2-[(1,4-diphenylpyrazol-3-yl)methyl]malonic acid Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(N=C2CC(C(=O)O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(N=C2CC(C(=O)O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H16N2O4/c22-18(23)15(19(24)25)11-17-16(13-7-3-1-4-8-13)12-21(20-17)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,22,23)(H,24,25)