[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxylate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxylate Openeye Name: (2-oxo-2-ureido-ethyl) 3-(4-ethylphenyl)-1-(o-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-ethylphenyl)-1-(2-methylphenyl)-4-pyrazolecarboxylic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxylate Traditional Name: 3-(4-ethylphenyl)-1-(o-tolyl)pyrazole-4-carboxylic acid (2-keto-2-ureido-ethyl) ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4/c1-3-15-8-10-16(11-9-15)20-17(21(28)30-13-19(27)24-22(23)29)12-26(25-20)18-7-5-4-6-14(18)2/h4-12H,3,13H2,1-2H3,(H3,23,24,27,29)