tert-butyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium

Systemtic Name: tert-butyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: tert-butyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: tert-butyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: tert-butyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: tert-butyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C13H19N2O4+ MolecularWeight: 267.30096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2

Isomeric SMILES

CC(C)(C)[NH2+]CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2

InChI

InChI=1S/C13H18N2O4/c1-13(2,3)14-6-9-4-11(15(16)17)5-10-7-18-8-19-12(9)10/h4-5,14H,6-8H2,1-3H3/p+1