[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)C)C

InChI

InChI=1S/C21H20N2O3/c1-14-11-16(3)19(12-15(14)2)20(24)13-26-21(25)17-5-7-18(8-6-17)23-10-4-9-22-23/h4-12H,13H2,1-3H3