ethyl 1-(4-bromophenyl)-5-[(E)-1-phenylprop-1-en-2-yl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-bromophenyl)-5-[(E)-1-phenylprop-1-en-2-yl]pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-bromophenyl)-5-[(E)-1-methyl-2-phenyl-vinyl]pyrazole-3-carboxylate CAS Name: 1-(4-bromophenyl)-5-[(E)-1-phenylprop-1-en-2-yl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-bromophenyl)-5-[(E)-1-phenylprop-1-en-2-yl]pyrazole-3-carboxylate Traditional Name: 1-(4-bromophenyl)-5-[(E)-1-methyl-2-phenyl-vinyl]pyrazole-3-carboxylic acid ethyl ester Formula: C21H19BrN2O2 MolecularWeight: 411.29176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C(=CC2=CC=CC=C2)C)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O2/c1-3-26-21(25)19-14-20(15(2)13-16-7-5-4-6-8-16)24(23-19)18-11-9-17(22)10-12-18/h4-14H,3H2,1-2H3/b15-13+