ethyl 4-(4-bromophenyl)carbonyl-1-(4-methoxyphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)carbonyl-1-(4-methoxyphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-(4-bromobenzoyl)-1-(4-methoxyphenyl)pyrazole-3-carboxylate CAS Name: 4-[(4-bromophenyl)-oxomethyl]-1-(4-methoxyphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromobenzoyl)-1-(4-methoxyphenyl)pyrazole-3-carboxylate Traditional Name: 4-(4-bromobenzoyl)-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1C(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=NN(C=C1C(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H17BrN2O4/c1-3-27-20(25)18-17(19(24)13-4-6-14(21)7-5-13)12-23(22-18)15-8-10-16(26-2)11-9-15/h4-12H,3H2,1-2H3