(2-azanyl-2-oxidanylidene-ethyl) 3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 3-(4-ethylphenyl)-1-(o-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-ethylphenyl)-1-(2-methylphenyl)-4-pyrazolecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxylate Traditional Name: 3-(4-ethylphenyl)-1-(o-tolyl)pyrazole-4-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N)C3=CC=CC=C3C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N)C3=CC=CC=C3C

InChI

InChI=1S/C21H21N3O3/c1-3-15-8-10-16(11-9-15)20-17(21(26)27-13-19(22)25)12-24(23-20)18-7-5-4-6-14(18)2/h4-12H,3,13H2,1-2H3,(H2,22,25)