1-[1-(1,3-benzodioxol-5-yl)-2-nitro-propyl]azepan-2-amine

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2-nitro-propyl]azepan-2-amine Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2-nitro-propyl]azepan-2-amine CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2-nitropropyl]-2-azepanamine IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2-nitropropyl]azepan-2-amine Traditional Name: [1-[1-(1,3-benzodioxol-5-yl)-2-nitro-propyl]azepan-2-yl]amine Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC2=C(C=C1)OCO2)N3CCCCCC3N)[N+](=O)[O-]

Isomeric SMILES

CC(C(C1=CC2=C(C=C1)OCO2)N3CCCCCC3N)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4/c1-11(19(20)21)16(18-8-4-2-3-5-15(18)17)12-6-7-13-14(9-12)23-10-22-13/h6-7,9,11,15-16H,2-5,8,10,17H2,1H3