2-chloranyl-2,2-bis(fluoranyl)ethanoate; 5-nitroisoquinolin-2-ium

Systemtic Name: 2-chloranyl-2,2-bis(fluoranyl)ethanoate; 5-nitroisoquinolin-2-ium Openeye Name: 2-chloro-2,2-difluoro-acetate; 5-nitroisoquinolin-2-ium CAS Name: 2-chloro-2,2-difluoroacetate; 5-nitroisoquinolin-2-ium IUPAC Name: 2-chloro-2,2-difluoroacetate; 5-nitroisoquinolin-2-ium Traditional Name: 2-chloro-2,2-difluoro-acetate; 5-nitroisoquinolin-2-ium Formula: C11H7ClF2N2O4 MolecularWeight: 304.634086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C[NH+]=C2)C(=C1)[N+](=O)[O-].C(=O)(C(F)(F)Cl)[O-]

Isomeric SMILES

C1=CC2=C(C=C[NH+]=C2)C(=C1)[N+](=O)[O-].C(=O)(C(F)(F)Cl)[O-]

InChI

InChI=1S/C9H6N2O2.C2HClF2O2/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9;3-2(4,5)1(6)7/h1-6H;(H,6,7)