[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CN(N=C2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CN(N=C2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H21N3O5/c1-27-17-8-9-18(19(10-17)28-2)23-20(25)14-29-21(26)16-11-22-24(13-16)12-15-6-4-3-5-7-15/h3-11,13H,12,14H2,1-2H3,(H,23,25)