4-(3,4-dimethylphenyl)carbonyl-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 4-(3,4-dimethylphenyl)carbonyl-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-(3,4-dimethylbenzoyl)-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(3,4-dimethylphenyl)-oxomethyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-(3,4-dimethylbenzoyl)-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-(3,4-dimethylbenzoyl)-5-methyl-2-phenyl-pyrazol-3-olate Formula: C19H17N2O2- MolecularWeight: 305.35048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)[O-])C

InChI

InChI=1S/C19H18N2O2/c1-12-9-10-15(11-13(12)2)18(22)17-14(3)20-21(19(17)23)16-7-5-4-6-8-16/h4-11,23H,1-3H3/p-1