N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]cycloheptanamine

Systemtic Name: N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]cycloheptanamine Openeye Name: N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]cycloheptanamine CAS Name: N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]cycloheptanamine IUPAC Name: N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]cycloheptanamine Traditional Name: cycloheptyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amine Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)C3CCCCCC3

Isomeric SMILES

CN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)C3CCCCCC3

InChI

InChI=1S/C17H24N2O4/c1-18(15-6-4-2-3-5-7-15)10-13-8-16(19(20)21)9-14-11-22-12-23-17(13)14/h8-9,15H,2-7,10-12H2,1H3