N-[2-(4-methoxyphenoxy)ethyl]-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[2-(4-methoxyphenoxy)ethyl]-8-nitro-isoquinolin-5-amine Openeye Name: N-[2-(4-methoxyphenoxy)ethyl]-8-nitro-isoquinolin-5-amine CAS Name: N-[2-(4-methoxyphenoxy)ethyl]-8-nitro-5-isoquinolinamine IUPAC Name: N-[2-(4-methoxyphenoxy)ethyl]-8-nitroisoquinolin-5-amine Traditional Name: 2-(4-methoxyphenoxy)ethyl-(8-nitro-5-isoquinolyl)amine Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OCCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4/c1-24-13-2-4-14(5-3-13)25-11-10-20-17-6-7-18(21(22)23)16-12-19-9-8-15(16)17/h2-9,12,20H,10-11H2,1H3