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

Systemtic Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-2-phenyl-ethanamine; ethanedioic acid Openeye Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-2-phenyl-ethanamine; oxalic acid CAS Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-phenylethanamine; oxalic acid IUPAC Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-phenylethanamine; oxalic acid Traditional Name: (4,5-dimethoxy-2-nitro-benzyl)-phenethyl-amine; oxalic acid Formula: C19H22N2O8 MolecularWeight: 406.38658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4.C2H2O4/c1-22-16-10-14(15(19(20)21)11-17(16)23-2)12-18-9-8-13-6-4-3-5-7-13;3-1(4)2(5)6/h3-7,10-11,18H,8-9,12H2,1-2H3;(H,3,4)(H,5,6)