(2-butoxy-2-oxidanylidene-ethyl) 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (2-butoxy-2-oxo-ethyl) 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid (2-butoxy-2-keto-ethyl) ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4/c1-2-3-14-27-20(25)16-28-22(26)19-15-24(18-12-8-5-9-13-18)23-21(19)17-10-6-4-7-11-17/h4-13,15H,2-3,14,16H2,1H3