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

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

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

Isomeric SMILES

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

InChI

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