[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-oxo-2-ureido-ethyl) 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylic acid (2-keto-2-ureido-ethyl) ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC(=O)N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC(=O)N)C3=CC=CC=C3)C

InChI

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