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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-nitrophenyl)methyl]ethanamine; ethanedioic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-nitrophenyl)methyl]ethanamine; oxalic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-nitrophenyl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-nitrophenyl)methyl]ethanamine; oxalic acid Traditional Name: homopiperonyl-(4-nitrobenzyl)amine; oxalic acid Formula: C18H18N2O8 MolecularWeight: 390.34412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4.C2H2O4/c19-18(20)14-4-1-13(2-5-14)10-17-8-7-12-3-6-15-16(9-12)22-11-21-15;3-1(4)2(5)6/h1-6,9,17H,7-8,10-11H2;(H,3,4)(H,5,6)