(5-ethanoyl-2-methoxy-phenyl)methyl 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=C(C=CC(=C2)C(=O)C)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=C(C=CC(=C2)C(=O)C)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O4/c1-13-19(20(22)24(23-13)17-7-5-4-6-8-17)21(26)28-12-16-11-15(14(2)25)9-10-18(16)27-3/h4-11H,12H2,1-3H3