(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C19H14BrN3O4 MolecularWeight: 428.23616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br)C

InChI

InChI=1S/C19H14BrN3O4/c1-10-15-5-11(8-21-18(15)23(2)22-10)19(25)26-9-12-6-17(24)27-16-7-13(20)3-4-14(12)16/h3-8H,9H2,1-2H3