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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine; ethanedioic acid Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine; oxalic acid CAS Name: 2-(3,4-dimethoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine; oxalic acid Traditional Name: homoveratryl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine; oxalic acid Formula: C20H22N2O10 MolecularWeight: 450.39608

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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.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6.C2H2O4/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;3-1(4)2(5)6/h3-4,7-9,19H,5-6,10-11H2,1-2H3;(H,3,4)(H,5,6)