ethyl 5-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[(2-benzoyl-4-chloro-phenyl)carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[(2-benzoyl-4-chloroanilino)-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-benzoyl-4-chlorophenyl)carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[(2-benzoyl-4-chloro-phenyl)carbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O4/c1-3-29-21(28)18-12-17(24-25(18)2)20(27)23-16-10-9-14(22)11-15(16)19(26)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,23,27)