3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxidanylidene-pyrazole-4-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxidanylidene-pyrazole-4-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxo-pyrazole-4-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxo-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxopyrazole-4-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-5-keto-2-methyl-3-pyrazoline-4-carboxylic acid Formula: C22H21N3O3 MolecularWeight: 375.42044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)N(N2C)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)N(N2C)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C22H21N3O3/c1-22(2,3)16-9-7-15(8-10-16)19-18(21(27)28)20(26)25(24(19)4)17-11-5-14(13-23)6-12-17/h5-12H,1-4H3,(H,27,28)