[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)OCC(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)OCC(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C17H14BrN3O3/c1-10-14-7-12(8-19-16(14)21(2)20-10)17(23)24-9-15(22)11-3-5-13(18)6-4-11/h3-8H,9H2,1-2H3