[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)CC2=CC=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)CC2=CC=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O4/c1-14-19(20(22)25(24-14)16-10-6-3-7-11-16)21(28)29-13-18(27)23-17(26)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,23,26,27)