2-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-(4-propylphenyl)propan-1-amine

Systemtic Name: 2-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-(4-propylphenyl)propan-1-amine Openeye Name: 2-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-(4-propylphenyl)propan-1-amine CAS Name: 2-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-(4-propylphenyl)-1-propanamine IUPAC Name: 2-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-(4-propylphenyl)propan-1-amine Traditional Name: [2-methyl-1-(4-propylphenyl)propyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amine Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C(C)C)NCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C(C)C)NCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C22H28N2O4/c1-4-5-16-6-8-17(9-7-16)21(15(2)3)23-12-18-10-20(24(25)26)11-19-13-27-14-28-22(18)19/h6-11,15,21,23H,4-5,12-14H2,1-3H3