2-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]ethanoate

Systemtic Name: 2-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]ethanoate Openeye Name: 2-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acetate CAS Name: 2-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]acetate IUPAC Name: 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetate Traditional Name: 2-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acetate Formula: C18H15N2O2- MolecularWeight: 291.3239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2CC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2CC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O2/c1-13-7-9-14(10-8-13)18-15(11-17(21)22)12-20(19-18)16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H,21,22)/p-1