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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-ureido-ethyl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylic acid [(1R)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)O[C@H](C)C(=O)NC(=O)N)C3=CC=CC=C3)C

InChI

InChI=1S/C22H22N4O4/c1-13-9-10-17(14(2)11-13)19-18(12-26(25-19)16-7-5-4-6-8-16)21(28)30-15(3)20(27)24-22(23)29/h4-12,15H,1-3H3,(H3,23,24,27,29)/t15-/m1/s1