(7-bromanyl-10-nitro-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl) 4-fluoranylbenzenesulfonate

Systemtic Name: (7-bromanyl-10-nitro-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl) 4-fluoranylbenzenesulfonate Openeye Name: (7-bromo-10-nitro-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl) 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid (7-bromo-10-nitro-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl) ester IUPAC Name: (7-bromo-10-nitro-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl) 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid (7-bromo-10-nitro-5,6-dihydropyrrol[2,1-a]isoquinolin-1-yl) ester Formula: C18H12BrFN2O5S MolecularWeight: 467.265683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C=CC(=C2C3=C(C=CC(=C31)Br)[N+](=O)[O-])OS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN2C=CC(=C2C3=C(C=CC(=C31)Br)[N+](=O)[O-])OS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H12BrFN2O5S/c19-14-5-6-15(22(23)24)17-13(14)7-9-21-10-8-16(18(17)21)27-28(25,26)12-3-1-11(20)2-4-12/h1-6,8,10H,7,9H2