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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine; ethanedioic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine; oxalic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine; oxalic acid Traditional Name: homopiperonyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine; oxalic acid Formula: C19H18N2O10 MolecularWeight: 434.35362

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNCC3=CC4=C(C=C3[N+](=O)[O-])OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNCC3=CC4=C(C=C3[N+](=O)[O-])OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H16N2O6.C2H2O4/c20-19(21)13-7-17-16(24-10-25-17)6-12(13)8-18-4-3-11-1-2-14-15(5-11)23-9-22-14;3-1(4)2(5)6/h1-2,5-7,18H,3-4,8-10H2;(H,3,4)(H,5,6)