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

Systemtic Name: 4-[[(4-fluoranyl-2-nitro-phenyl)amino]methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione Openeye Name: 4-[(4-fluoro-2-nitro-anilino)methylene]-2-(2-pyridyl)isoquinoline-1,3-dione CAS Name: 4-[(4-fluoro-2-nitroanilino)methylidene]-2-(2-pyridinyl)isoquinoline-1,3-dione IUPAC Name: 4-[(4-fluoro-2-nitroanilino)methylidene]-2-pyridin-2-ylisoquinoline-1,3-dione Traditional Name: 4-[(4-fluoro-2-nitro-anilino)methylene]-2-(2-pyridyl)isoquinoline-1,3-quinone Formula: C21H13FN4O4 MolecularWeight: 404.350723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13FN4O4/c22-13-8-9-17(18(11-13)26(29)30)24-12-16-14-5-1-2-6-15(14)20(27)25(21(16)28)19-7-3-4-10-23-19/h1-12,24H