[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C21H18N4O4/c1-14(20(26)23-16-8-6-7-15(11-16)12-22)29-21(27)19-18(28-2)13-25(24-19)17-9-4-3-5-10-17/h3-11,13-14H,1-2H3,(H,23,26)/t14-/m1/s1