2-(1,3-benzodioxol-5-yl)-N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]ethanamine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]ethanamine Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]ethanamine CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]ethanamine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]ethanamine Traditional Name: (4,5-dimethoxy-2-nitro-benzyl)-homopiperonyl-amine Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CNCCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CNCCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O6/c1-23-16-8-13(14(20(21)22)9-17(16)24-2)10-19-6-5-12-3-4-15-18(7-12)26-11-25-15/h3-4,7-9,19H,5-6,10-11H2,1-2H3