3-[(5-carboxy-1-phenyl-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoate

Systemtic Name: 3-[(5-carboxy-1-phenyl-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoate Openeye Name: 3-[(5-carboxy-1-phenyl-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoate CAS Name: 3-[(5-carboxy-1-phenyl-4-pyrazolo[3,4-b]pyridinyl)amino]propanoate IUPAC Name: 3-[(5-carboxy-1-phenylpyrazolo[3,4-b]pyridin-4-yl)amino]propanoate Traditional Name: 3-[(5-carboxy-1-phenyl-pyrazolo[3,4-b]pyridin-4-yl)amino]propionate Formula: C16H13N4O4- MolecularWeight: 325.29882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC=C(C(=C3C=N2)NCCC(=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC=C(C(=C3C=N2)NCCC(=O)[O-])C(=O)O

InChI

InChI=1S/C16H14N4O4/c21-13(22)6-7-17-14-11-9-19-20(10-4-2-1-3-5-10)15(11)18-8-12(14)16(23)24/h1-5,8-9H,6-7H2,(H,17,18)(H,21,22)(H,23,24)/p-1