N-[2-(2-fluoranylphenoxy)ethyl]-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[2-(2-fluoranylphenoxy)ethyl]-8-nitro-isoquinolin-5-amine Openeye Name: N-[2-(2-fluorophenoxy)ethyl]-8-nitro-isoquinolin-5-amine CAS Name: N-[2-(2-fluorophenoxy)ethyl]-8-nitro-5-isoquinolinamine IUPAC Name: N-[2-(2-fluorophenoxy)ethyl]-8-nitroisoquinolin-5-amine Traditional Name: 2-(2-fluorophenoxy)ethyl-(8-nitro-5-isoquinolyl)amine Formula: C17H14FN3O3 MolecularWeight: 327.309763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)OCCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C17H14FN3O3/c18-14-3-1-2-4-17(14)24-10-9-20-15-5-6-16(21(22)23)13-11-19-8-7-12(13)15/h1-8,11,20H,9-10H2