diethyl 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-1,2-oxazole-4,5-dicarboxylate

Systemtic Name: diethyl 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-1,2-oxazole-4,5-dicarboxylate Openeye Name: diethyl 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]isoxazole-4,5-dicarboxylate CAS Name: 3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]isoxazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole-4,5-dicarboxylate Traditional Name: 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]isoxazole-4,5-dicarboxylic acid diethyl ester Formula: C24H20BrN3O5 MolecularWeight: 510.3367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(ON=C1C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(ON=C1C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C24H20BrN3O5/c1-3-31-23(29)19-21(27-33-22(19)24(30)32-4-2)18-14-28(17-8-6-5-7-9-17)26-20(18)15-10-12-16(25)13-11-15/h5-14H,3-4H2,1-2H3