[1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate Openeye Name: [2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-keto-1-methyl-2-(p-phenetidino)ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-3-27-19-11-9-17(10-12-19)23-20(25)15(2)28-21(26)16-13-22-24(14-16)18-7-5-4-6-8-18/h4-15H,3H2,1-2H3,(H,23,25)