[1-[(3,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [1-[(3,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate Openeye Name: [2-(3,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-(3,5-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)OC)OC)OC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)OC)OC)OC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-14(20(25)23-16-9-18(27-2)11-19(10-16)28-3)29-21(26)15-12-22-24(13-15)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,23,25)