3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(4-fluoranyl-3-nitro-phenyl)propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C18H14FN3O5 MolecularWeight: 371.319263

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H14FN3O5/c19-14-6-5-12(10-15(14)22(26)27)20-16(23)7-8-21-17(24)9-11-3-1-2-4-13(11)18(21)25/h1-6,10H,7-9H2,(H,20,23)