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

Systemtic Name: ethanedioic acid; N-[(3-nitrophenyl)methyl]-2-phenyl-ethanamine Openeye Name: N-[(3-nitrophenyl)methyl]-2-phenyl-ethanamine; oxalic acid CAS Name: N-[(3-nitrophenyl)methyl]-2-phenylethanamine; oxalic acid IUPAC Name: N-[(3-nitrophenyl)methyl]-2-phenylethanamine; oxalic acid Traditional Name: (3-nitrobenzyl)-phenethyl-amine; oxalic acid Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC2=CC(=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCC2=CC(=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H16N2O2.C2H2O4/c18-17(19)15-8-4-7-14(11-15)12-16-10-9-13-5-2-1-3-6-13;3-1(4)2(5)6/h1-8,11,16H,9-10,12H2;(H,3,4)(H,5,6)