ethyl 1-(4-chlorophenyl)carbonyl-3-propyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-chlorophenyl)carbonyl-3-propyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-chlorobenzoyl)-3-propyl-pyrazole-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-propyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-chlorobenzoyl)-3-propylpyrazole-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)-3-propyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H17ClN2O3 MolecularWeight: 320.77078

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C=C1C(=O)OCC)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC1=NN(C=C1C(=O)OCC)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H17ClN2O3/c1-3-5-14-13(16(21)22-4-2)10-19(18-14)15(20)11-6-8-12(17)9-7-11/h6-10H,3-5H2,1-2H3