[1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(=O)NC)OC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O5/c1-14(20(27)24-22(29)23-2)31-21(28)18-13-26(16-9-5-4-6-10-16)25-19(18)15-8-7-11-17(12-15)30-3/h4-14H,1-3H3,(H2,23,24,27,29)