3-(1,3-diphenylpyrazol-4-yl)prop-2-ynoic acid

Systemtic Name: 3-(1,3-diphenylpyrazol-4-yl)prop-2-ynoic acid Openeye Name: 3-(1,3-diphenylpyrazol-4-yl)prop-2-ynoic acid CAS Name: 3-(1,3-diphenyl-4-pyrazolyl)-2-propynoic acid IUPAC Name: 3-(1,3-diphenylpyrazol-4-yl)prop-2-ynoic acid Traditional Name: 3-(1,3-diphenylpyrazol-4-yl)propiolic acid Formula: C18H12N2O2 MolecularWeight: 288.30008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C#CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C#CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H12N2O2/c21-17(22)12-11-15-13-20(16-9-5-2-6-10-16)19-18(15)14-7-3-1-4-8-14/h1-10,13H,(H,21,22)