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

Systemtic Name: 1-(3,4-dimethylphenyl)-5-phenyl-pyrazole-3-carboxylate Openeye Name: 1-(3,4-dimethylphenyl)-5-phenyl-pyrazole-3-carboxylate CAS Name: 1-(3,4-dimethylphenyl)-5-phenyl-3-pyrazolecarboxylate IUPAC Name: 1-(3,4-dimethylphenyl)-5-phenylpyrazole-3-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)-5-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)N2C(=CC(=N2)C(=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=N2)C(=O)[O-])C3=CC=CC=C3)C

InChI

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