ethanedioic acid; N-[(3-nitrophenyl)methyl]-1,2-diphenyl-ethanamine

Systemtic Name: ethanedioic acid; N-[(3-nitrophenyl)methyl]-1,2-diphenyl-ethanamine Openeye Name: N-[(3-nitrophenyl)methyl]-1,2-diphenyl-ethanamine; oxalic acid CAS Name: N-[(3-nitrophenyl)methyl]-1,2-diphenylethanamine; oxalic acid IUPAC Name: N-[(3-nitrophenyl)methyl]-1,2-diphenylethanamine; oxalic acid Traditional Name: 1,2-diphenylethyl-(3-nitrobenzyl)amine; oxalic acid Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NCC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NCC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C21H20N2O2.C2H2O4/c24-23(25)20-13-7-10-18(14-20)16-22-21(19-11-5-2-6-12-19)15-17-8-3-1-4-9-17;3-1(4)2(5)6/h1-14,21-22H,15-16H2;(H,3,4)(H,5,6)