[2-(2-ethanoylhydrazinyl)-2-oxidanylidene-ethyl] 3-phenyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(2-ethanoylhydrazinyl)-2-oxidanylidene-ethyl] 3-phenyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2-acetylhydrazino)-2-oxo-ethyl] 1-benzyl-3-phenyl-pyrazole-4-carboxylate CAS Name: 3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(acetylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylhydrazinyl)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-phenyl-pyrazole-4-carboxylic acid [2-(N'-acetylhydrazino)-2-keto-ethyl] ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NNC(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NNC(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4/c1-15(26)22-23-19(27)14-29-21(28)18-13-25(12-16-8-4-2-5-9-16)24-20(18)17-10-6-3-7-11-17/h2-11,13H,12,14H2,1H3,(H,22,26)(H,23,27)