[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C23H25N3O5/c1-4-29-20-11-10-17(12-21(20)30-5-2)24-22(27)14-31-23(28)19-13-18(25-26-19)16-8-6-15(3)7-9-16/h6-13H,4-5,14H2,1-3H3,(H,24,27)(H,25,26)