2-(3,4-dimethoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine CAS Name: 2-(3,4-dimethoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine Traditional Name: homoveratryl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC2=CC3=C(C=C2[N+](=O)[O-])OCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC2=CC3=C(C=C2[N+](=O)[O-])OCO3)OC

InChI

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