[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)OCC(=O)NC(=O)NC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)OCC(=O)NC(=O)NC)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4/c1-14-8-6-7-11-16(14)19-17(12-25(24-19)15-9-4-3-5-10-15)20(27)29-13-18(26)23-21(28)22-2/h3-12H,13H2,1-2H3,(H2,22,23,26,28)