[1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-keto-1-methyl-2-(p-phenetidino)ethyl] ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C

InChI

InChI=1S/C21H22N4O4/c1-4-28-17-10-8-16(9-11-17)24-20(26)15(3)29-21(27)18-13-23-25(14(18)2)19-7-5-6-12-22-19/h5-13,15H,4H2,1-3H3,(H,24,26)