4-[[(5-nitro-2-oxidanyl-phenyl)amino]methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione

Systemtic Name: 4-[[(5-nitro-2-oxidanyl-phenyl)amino]methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione Openeye Name: 4-[(2-hydroxy-5-nitro-anilino)methylene]-2-(2-pyridyl)isoquinoline-1,3-dione CAS Name: 4-[(2-hydroxy-5-nitroanilino)methylidene]-2-(2-pyridinyl)isoquinoline-1,3-dione IUPAC Name: 4-[(2-hydroxy-5-nitroanilino)methylidene]-2-pyridin-2-ylisoquinoline-1,3-dione Traditional Name: 4-[(2-hydroxy-5-nitro-anilino)methylene]-2-(2-pyridyl)isoquinoline-1,3-quinone Formula: C21H14N4O5 MolecularWeight: 402.35966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC3=C(C=CC(=C3)[N+](=O)[O-])O)C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNC3=C(C=CC(=C3)[N+](=O)[O-])O)C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C21H14N4O5/c26-18-9-8-13(25(29)30)11-17(18)23-12-16-14-5-1-2-6-15(14)20(27)24(21(16)28)19-7-3-4-10-22-19/h1-12,23,26H