ethyl 5-ethyl-3-oxidanyl-2-(4-phenylphenyl)carbonyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-ethyl-3-oxidanyl-2-(4-phenylphenyl)carbonyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 5-ethyl-3-hydroxy-2-(4-phenylbenzoyl)-4H-pyrazole-3-carboxylate CAS Name: 5-ethyl-3-hydroxy-2-[oxo-(4-phenylphenyl)methyl]-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-3-hydroxy-2-(4-phenylbenzoyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-ethyl-3-hydroxy-2-(4-phenylbenzoyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1)(C(=O)OCC)O)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCC1=NN(C(C1)(C(=O)OCC)O)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-3-18-14-21(26,20(25)27-4-2)23(22-18)19(24)17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-13,26H,3-4,14H2,1-2H3