5-(3,4-dimethylphenyl)-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: 5-(3,4-dimethylphenyl)-1-phenyl-pyrazole-3-carboxylate Openeye Name: 5-(3,4-dimethylphenyl)-1-phenyl-pyrazole-3-carboxylate CAS Name: 5-(3,4-dimethylphenyl)-1-phenyl-3-pyrazolecarboxylate IUPAC Name: 5-(3,4-dimethylphenyl)-1-phenylpyrazole-3-carboxylate Traditional Name: 5-(3,4-dimethylphenyl)-1-phenyl-pyrazole-3-carboxylate Formula: C18H15N2O2- MolecularWeight: 291.3239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(=O)[O-])C

InChI

InChI=1S/C18H16N2O2/c1-12-8-9-14(10-13(12)2)17-11-16(18(21)22)19-20(17)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,21,22)/p-1