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

Systemtic Name: ethanedioic acid; N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,2-diphenyl-ethanamine Openeye Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,2-diphenyl-ethanamine; oxalic acid CAS Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,2-diphenylethanamine; oxalic acid IUPAC Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,2-diphenylethanamine; oxalic acid Traditional Name: 1,2-diphenylethyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine; oxalic acid Formula: C24H22N2O8 MolecularWeight: 466.44008

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CNC(CC3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CNC(CC3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C22H20N2O4.C2H2O4/c25-24(26)20-13-22-21(27-15-28-22)12-18(20)14-23-19(17-9-5-2-6-10-17)11-16-7-3-1-4-8-16;3-1(4)2(5)6/h1-10,12-13,19,23H,11,14-15H2;(H,3,4)(H,5,6)