N-(1,3-benzodioxol-5-ylmethyl)-8-nitro-isoquinolin-5-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-8-nitro-isoquinolin-5-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-8-nitro-isoquinolin-5-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-8-nitro-5-isoquinolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-8-nitroisoquinolin-5-amine Traditional Name: (8-nitro-5-isoquinolyl)-piperonyl-amine Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O4/c21-20(22)15-3-2-14(12-5-6-18-9-13(12)15)19-8-11-1-4-16-17(7-11)24-10-23-16/h1-7,9,19H,8,10H2