4-(4-tert-butylphenyl)carbonyl-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 4-(4-tert-butylphenyl)carbonyl-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-(4-tert-butylbenzoyl)-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(4-tert-butylphenyl)-oxomethyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-(4-tert-butylbenzoyl)-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-(4-tert-butylbenzoyl)-5-methyl-2-phenyl-pyrazol-3-olate Formula: C21H21N2O2- MolecularWeight: 333.40364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=CC=C(C=C2)C(C)(C)C)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=CC=C(C=C2)C(C)(C)C)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2/c1-14-18(20(25)23(22-14)17-8-6-5-7-9-17)19(24)15-10-12-16(13-11-15)21(2,3)4/h5-13,25H,1-4H3/p-1