(E)-but-2-enedioic acid; 3-phenyl-2H-pyrazolo[3,4-b]pyridine

Systemtic Name: (E)-but-2-enedioic acid; 3-phenyl-2H-pyrazolo[3,4-b]pyridine Openeye Name: fumaric acid; 3-phenyl-2H-pyrazolo[3,4-b]pyridine CAS Name: (E)-2-butenedioic acid; 3-phenyl-2H-pyrazolo[3,4-b]pyridine IUPAC Name: (E)-but-2-enedioic acid; 3-phenyl-2H-pyrazolo[3,4-b]pyridine Traditional Name: fumaric acid; 3-phenyl-2H-pyrazolo[3,4-b]pyridine Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC=NC3=NN2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC=NC3=NN2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H9N3.C4H4O4/c1-2-5-9(6-3-1)11-10-7-4-8-13-12(10)15-14-11;5-3(6)1-2-4(7)8/h1-8H,(H,13,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1+