N-[2-(1,3-benzodioxol-5-yl)ethyl]-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-8-nitro-isoquinolin-5-amine Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-8-nitro-isoquinolin-5-amine CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-8-nitro-5-isoquinolinamine IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-8-nitroisoquinolin-5-amine Traditional Name: homopiperonyl-(8-nitro-5-isoquinolyl)amine Formula: C18H15N3O4 MolecularWeight: 337.3294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4/c22-21(23)16-3-2-15(13-6-7-19-10-14(13)16)20-8-5-12-1-4-17-18(9-12)25-11-24-17/h1-4,6-7,9-10,20H,5,8,11H2