ethanedioic acid; N-[(4-methyl-3-nitro-phenyl)methyl]-2-phenyl-ethanamine

Systemtic Name: ethanedioic acid; N-[(4-methyl-3-nitro-phenyl)methyl]-2-phenyl-ethanamine Openeye Name: N-[(4-methyl-3-nitro-phenyl)methyl]-2-phenyl-ethanamine; oxalic acid CAS Name: N-[(4-methyl-3-nitrophenyl)methyl]-2-phenylethanamine; oxalic acid IUPAC Name: N-[(4-methyl-3-nitrophenyl)methyl]-2-phenylethanamine; oxalic acid Traditional Name: (4-methyl-3-nitro-benzyl)-phenethyl-amine; oxalic acid Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNCCC2=CC=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)CNCCC2=CC=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18N2O2.C2H2O4/c1-13-7-8-15(11-16(13)18(19)20)12-17-10-9-14-5-3-2-4-6-14;3-1(4)2(5)6/h2-8,11,17H,9-10,12H2,1H3;(H,3,4)(H,5,6)