4-nitro-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline

Systemtic Name: 4-nitro-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline Openeye Name: 4-nitro-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline CAS Name: 4-nitro-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline IUPAC Name: 4-nitro-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline Traditional Name: [4-nitro-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]amine Formula: C18H13N5O2 MolecularWeight: 331.32812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=NC3=NN2)C4=C(C=CC(=C4)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=NC3=NN2)C4=C(C=CC(=C4)[N+](=O)[O-])N

InChI

InChI=1S/C18H13N5O2/c19-16-7-6-13(23(24)25)9-14(16)12-8-15-17(11-4-2-1-3-5-11)21-22-18(15)20-10-12/h1-10H,19H2,(H,20,21,22)