3-[4-methyl-6-oxidanylidene-2-(phenylmethyl)pyrazolo[3,4-b]pyridin-7-yl]propanoate

Systemtic Name: 3-[4-methyl-6-oxidanylidene-2-(phenylmethyl)pyrazolo[3,4-b]pyridin-7-yl]propanoate Openeye Name: 3-(2-benzyl-4-methyl-6-oxo-pyrazolo[3,4-b]pyridin-7-yl)propanoate CAS Name: 3-[4-methyl-6-oxo-2-(phenylmethyl)-7-pyrazolo[3,4-b]pyridinyl]propanoate IUPAC Name: 3-(2-benzyl-4-methyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoate Traditional Name: 3-(2-benzyl-6-keto-4-methyl-pyrazolo[3,4-b]pyridin-7-yl)propionate Formula: C17H16N3O3- MolecularWeight: 310.32724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C2=NN(C=C12)CC3=CC=CC=C3)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=O)N(C2=NN(C=C12)CC3=CC=CC=C3)CCC(=O)[O-]

InChI

InChI=1S/C17H17N3O3/c1-12-9-15(21)20(8-7-16(22)23)17-14(12)11-19(18-17)10-13-5-3-2-4-6-13/h2-6,9,11H,7-8,10H2,1H3,(H,22,23)/p-1