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

Systemtic Name: [(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl] 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylic acid [(1R)-2-(carbomethoxyamino)-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-14-8-7-9-16(12-14)19-18(13-25(24-19)17-10-5-4-6-11-17)21(27)30-15(2)20(26)23-22(28)29-3/h4-13,15H,1-3H3,(H,23,26,28)/t15-/m1/s1