[2-(methylamino)-2-oxidanylidene-ethyl] 3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2,5-dimethoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(methylamino)ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-22-19(25)13-29-21(26)17-12-24(14-7-5-4-6-8-14)23-20(17)16-11-15(27-2)9-10-18(16)28-3/h4-12H,13H2,1-3H3,(H,22,25)