ethanedioic acid; 3-(2-nitrophenoxy)-N-(phenylmethyl)propan-1-amine

Systemtic Name: ethanedioic acid; 3-(2-nitrophenoxy)-N-(phenylmethyl)propan-1-amine Openeye Name: N-benzyl-3-(2-nitrophenoxy)propan-1-amine; oxalic acid CAS Name: 3-(2-nitrophenoxy)-N-(phenylmethyl)-1-propanamine; oxalic acid IUPAC Name: N-benzyl-3-(2-nitrophenoxy)propan-1-amine; oxalic acid Traditional Name: benzyl-[3-(2-nitrophenoxy)propyl]amine; oxalic acid Formula: C18H20N2O7 MolecularWeight: 376.3606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCOC2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCCCOC2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18N2O3.C2H2O4/c19-18(20)15-9-4-5-10-16(15)21-12-6-11-17-13-14-7-2-1-3-8-14;3-1(4)2(5)6/h1-5,7-10,17H,6,11-13H2;(H,3,4)(H,5,6)