2-[2,4-bis(fluoranyl)phenyl]-N-(2-methoxy-5-nitro-phenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-N-(2-methoxy-5-nitro-phenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(2,4-difluorophenyl)-N-(2-methoxy-5-nitro-phenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(2,4-difluorophenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(2,4-difluorophenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(2,4-difluorophenyl)-1-keto-N-(2-methoxy-5-nitro-phenyl)isoquinoline-4-carboxamide Formula: C23H15F2N3O5 MolecularWeight: 451.379106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C23H15F2N3O5/c1-33-21-9-7-14(28(31)32)11-19(21)26-22(29)17-12-27(20-8-6-13(24)10-18(20)25)23(30)16-5-3-2-4-15(16)17/h2-12H,1H3,(H,26,29)