(2-benzamido-2-oxidanylidene-ethyl) 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C20H16ClN3O4 MolecularWeight: 397.81174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O4/c1-13-17(18(21)24(23-13)15-10-6-3-7-11-15)20(27)28-12-16(25)22-19(26)14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,22,25,26)