5-(4-methanoyl-6-methyl-5-oxidanyl-pyrazolo[3,4-b]pyridin-2-yl)-2-oxidanyl-benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(4-methanoyl-6-methyl-5-oxidanyl-pyrazolo[3,4-b]pyridin-2-yl)-2-oxidanyl-benzene-1,3-dicarboxylic acid Openeye Name: 5-(4-formyl-5-hydroxy-6-methyl-pyrazolo[3,4-b]pyridin-2-yl)-2-hydroxy-benzene-1,3-dicarboxylic acid CAS Name: 5-(4-formyl-5-hydroxy-6-methyl-2-pyrazolo[3,4-b]pyridinyl)-2-hydroxybenzene-1,3-dicarboxylic acid IUPAC Name: 5-(4-formyl-5-hydroxy-6-methylpyrazolo[3,4-b]pyridin-2-yl)-2-hydroxybenzene-1,3-dicarboxylic acid Traditional Name: 5-(4-formyl-5-hydroxy-6-methyl-pyrazolo[3,4-b]pyridin-2-yl)-2-hydroxy-isophthalic acid Formula: C16H11N3O7 MolecularWeight: 357.27444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NN(C=C2C(=C1O)C=O)C3=CC(=C(C(=C3)C(=O)O)O)C(=O)O

Isomeric SMILES

CC1=NC2=NN(C=C2C(=C1O)C=O)C3=CC(=C(C(=C3)C(=O)O)O)C(=O)O

InChI

InChI=1S/C16H11N3O7/c1-6-12(21)11(5-20)10-4-19(18-14(10)17-6)7-2-8(15(23)24)13(22)9(3-7)16(25)26/h2-5,21-22H,1H3,(H,23,24)(H,25,26)