4-(5-methoxycarbonyl-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid

Systemtic Name: 4-(5-methoxycarbonyl-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid Openeye Name: 4-(5-methoxycarbonyl-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid CAS Name: 4-(5-methoxycarbonyl-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid IUPAC Name: 4-(5-methoxycarbonyl-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid Traditional Name: 4-(5-carbomethoxy-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=CNNC2=N1)C3=CC=C(C=C3)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=CNNC2=N1)C3=CC=C(C=C3)C(=O)O)C(=O)OC

InChI

InChI=1S/C16H15N3O4/c1-8-12(16(22)23-2)13(11-7-17-19-14(11)18-8)9-3-5-10(6-4-9)15(20)21/h3-7,13H,1-2H3,(H,20,21)(H2,17,18,19)