N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine Traditional Name: (4-ethoxy-3-methoxy-benzyl)-ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amine Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OCC)OC)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OCC)OC)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C21H26N2O6/c1-4-22(11-15-6-7-19(28-5-2)20(8-15)26-3)12-16-9-18(23(24)25)10-17-13-27-14-29-21(16)17/h6-10H,4-5,11-14H2,1-3H3