(2-azanyl-2-oxidanylidene-ethyl) 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 3-(4-isopropylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(4-propan-2-ylphenyl)-4-pyrazolecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate Traditional Name: 3-p-cumenyl-1-phenyl-pyrazole-4-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-14(2)15-8-10-16(11-9-15)20-18(21(26)27-13-19(22)25)12-24(23-20)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H2,22,25)