dipropan-2-yl 3-(4-bromophenyl)-5-oxidanylidene-pyrazole-1,2-dicarboxylate

Systemtic Name: dipropan-2-yl 3-(4-bromophenyl)-5-oxidanylidene-pyrazole-1,2-dicarboxylate Openeye Name: diisopropyl 3-(4-bromophenyl)-5-oxo-pyrazole-1,2-dicarboxylate CAS Name: 3-(4-bromophenyl)-5-oxopyrazole-1,2-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 3-(4-bromophenyl)-5-oxopyrazole-1,2-dicarboxylate Traditional Name: 3-(4-bromophenyl)-5-keto-3-pyrazoline-1,2-dicarboxylic acid diisopropyl ester Formula: C17H19BrN2O5 MolecularWeight: 411.24716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1C(=CC(=O)N1C(=O)OC(C)C)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)OC(=O)N1C(=CC(=O)N1C(=O)OC(C)C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H19BrN2O5/c1-10(2)24-16(22)19-14(12-5-7-13(18)8-6-12)9-15(21)20(19)17(23)25-11(3)4/h5-11H,1-4H3