O3-ethyl O5-(phenylmethyl) 5-(phenylcarbonyl)-1,4-dihydropyrazole-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-(phenylmethyl) 5-(phenylcarbonyl)-1,4-dihydropyrazole-3,5-dicarboxylate Openeye Name: O5-benzyl O3-ethyl 5-benzoyl-1,4-dihydropyrazole-3,5-dicarboxylate CAS Name: 5-benzoyl-1,4-dihydropyrazole-3,5-dicarboxylic acid O3-ethyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 3-O-ethyl 5-benzoyl-1,4-dihydropyrazole-3,5-dicarboxylate Traditional Name: 3-benzoyl-2-pyrazoline-3,5-dicarboxylic acid O3-benzyl ester O5-ethyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(C1)(C(=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NNC(C1)(C(=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5/c1-2-27-19(25)17-13-21(23-22-17,18(24)16-11-7-4-8-12-16)20(26)28-14-15-9-5-3-6-10-15/h3-12,23H,2,13-14H2,1H3