2-(6-nitro-1,3-benzodioxol-5-yl)-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-3H-isoindol-2-ium-1-amine Openeye Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-3H-isoindol-2-ium-1-amine CAS Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-3H-isoindol-2-ium-1-amine IUPAC Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-3H-isoindol-2-ium-1-amine Traditional Name: [2-(6-nitro-1,3-benzodioxol-5-yl)-3H-isoindol-2-ium-1-yl]amine Formula: C15H12N3O4+ MolecularWeight: 298.27348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1C3=CC4=C(C=C3[N+](=O)[O-])OCO4)N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1C3=CC4=C(C=C3[N+](=O)[O-])OCO4)N

InChI

InChI=1S/C15H11N3O4/c16-15-10-4-2-1-3-9(10)7-17(15)11-5-13-14(22-8-21-13)6-12(11)18(19)20/h1-6,16H,7-8H2/p+1