[(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-ureido-ethyl] 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylic acid [(1R)-2-keto-1-methyl-2-ureido-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)OC(C)C(=O)NC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)O[C@H](C)C(=O)NC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4/c1-13-8-6-7-11-16(13)18-17(12-25(24-18)15-9-4-3-5-10-15)20(27)29-14(2)19(26)23-21(22)28/h3-12,14H,1-2H3,(H3,22,23,26,28)/t14-/m1/s1