N-isoquinolin-5-yl-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine

Systemtic Name: N-isoquinolin-5-yl-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Openeye Name: N-(5-isoquinolyl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine CAS Name: N-(5-isoquinolinyl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine IUPAC Name: N-isoquinolin-5-yl-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Traditional Name: 5-isoquinolyl-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amine Formula: C17H11N3O4 MolecularWeight: 321.28694

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NC3=CC=CC4=C3C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=NC3=CC=CC4=C3C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O4/c21-20(22)15-7-17-16(23-10-24-17)6-12(15)9-19-14-3-1-2-11-8-18-5-4-13(11)14/h1-9H,10H2