N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-2-(4-pyridyl)cinchoninamide Formula: C22H16N4O4 MolecularWeight: 400.38684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H16N4O4/c27-21-6-5-16(26(29)30)11-15(21)13-24-22(28)18-12-20(14-7-9-23-10-8-14)25-19-4-2-1-3-17(18)19/h1-12,27H,13H2,(H,24,28)