2-oxidanylidenepropyl 3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: acetonyl 3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2,5-dimethoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid acetonyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-14(24)13-28-21(25)18-12-23(15-7-5-4-6-8-15)22-20(18)17-11-16(26-2)9-10-19(17)27-3/h4-12H,13H2,1-3H3