3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2,4-dimethoxyphenyl)-1-phenyl-4-pyrazolecarboxylate IUPAC Name: 3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Formula: C18H15N2O4- MolecularWeight: 323.3227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C=C2C(=O)[O-])C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C=C2C(=O)[O-])C3=CC=CC=C3)OC

InChI

InChI=1S/C18H16N2O4/c1-23-13-8-9-14(16(10-13)24-2)17-15(18(21)22)11-20(19-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,22)/p-1