2-[2-[4-(4-fluorophenyl)phenyl]sulfonyl-6-nitro-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-[4-(4-fluorophenyl)phenyl]sulfonyl-6-nitro-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-[4-(4-fluorophenyl)phenyl]sulfonyl-6-nitro-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxo-acetic acid CAS Name: 2-[2-[4-(4-fluorophenyl)phenyl]sulfonyl-6-nitro-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid IUPAC Name: 2-[2-[4-(4-fluorophenyl)phenyl]sulfonyl-6-nitro-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid Traditional Name: 2-[2-[4-(4-fluorophenyl)phenyl]sulfonyl-6-nitro-3,4-dihydro-1H-isoquinolin-3-yl]-2-keto-acetic acid Formula: C23H17FN2O7S MolecularWeight: 484.453683

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)C(=O)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)C(=O)C(=O)O

InChI

InChI=1S/C23H17FN2O7S/c24-18-6-1-14(2-7-18)15-4-9-20(10-5-15)34(32,33)25-13-16-3-8-19(26(30)31)11-17(16)12-21(25)22(27)23(28)29/h1-11,21H,12-13H2,(H,28,29)