ethanedioic acid; N-[(4-methyl-3-nitro-phenyl)methyl]-1-phenyl-methanamine

Systemtic Name: ethanedioic acid; N-[(4-methyl-3-nitro-phenyl)methyl]-1-phenyl-methanamine Openeye Name: N-[(4-methyl-3-nitro-phenyl)methyl]-1-phenyl-methanamine; oxalic acid CAS Name: N-[(4-methyl-3-nitrophenyl)methyl]-1-phenylmethanamine; oxalic acid IUPAC Name: N-[(4-methyl-3-nitrophenyl)methyl]-1-phenylmethanamine; oxalic acid Traditional Name: benzyl-(4-methyl-3-nitro-benzyl)amine; oxalic acid Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNCC2=CC=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)CNCC2=CC=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H16N2O2.C2H2O4/c1-12-7-8-14(9-15(12)17(18)19)11-16-10-13-5-3-2-4-6-13;3-1(4)2(5)6/h2-9,16H,10-11H2,1H3;(H,3,4)(H,5,6)