1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(2-chlorobenzyl)-3-phenyl-pyrazole-4-carboxylic acid Formula: C17H13ClN2O2 MolecularWeight: 312.75032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)O)CC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C17H13ClN2O2/c18-15-9-5-4-8-13(15)10-20-11-14(17(21)22)16(19-20)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,21,22)