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

Systemtic Name: (E)-4-oxidanylidene-4-phenoxy-but-2-enoic acid; 3-phenyl-2H-pyrazolo[3,4-b]pyridine Openeye Name: (E)-4-oxo-4-phenoxy-but-2-enoic acid; 3-phenyl-2H-pyrazolo[3,4-b]pyridine CAS Name: (E)-4-oxo-4-phenoxy-2-butenoic acid; 3-phenyl-2H-pyrazolo[3,4-b]pyridine IUPAC Name: (E)-4-oxo-4-phenoxybut-2-enoic acid; 3-phenyl-2H-pyrazolo[3,4-b]pyridine Traditional Name: (E)-4-keto-4-phenoxy-but-2-enoic acid; 3-phenyl-2H-pyrazolo[3,4-b]pyridine Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3.C10H8O4/c1-2-5-9(6-3-1)11-10-7-4-8-13-12(10)15-14-11;11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h1-8H,(H,13,14,15);1-7H,(H,11,12)/b;7-6+