ethanedioic acid; N-(furan-2-ylmethyl)-3-(4-nitrophenoxy)propan-1-amine

Systemtic Name: ethanedioic acid; N-(furan-2-ylmethyl)-3-(4-nitrophenoxy)propan-1-amine Openeye Name: N-(2-furylmethyl)-3-(4-nitrophenoxy)propan-1-amine; oxalic acid CAS Name: N-(2-furanylmethyl)-3-(4-nitrophenoxy)-1-propanamine; oxalic acid IUPAC Name: N-(furan-2-ylmethyl)-3-(4-nitrophenoxy)propan-1-amine; oxalic acid Traditional Name: 2-furfuryl-[3-(4-nitrophenoxy)propyl]amine; oxalic acid Formula: C16H18N2O8 MolecularWeight: 366.32272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4.C2H2O4/c17-16(18)12-4-6-13(7-5-12)19-10-2-8-15-11-14-3-1-9-20-14;3-1(4)2(5)6/h1,3-7,9,15H,2,8,10-11H2;(H,3,4)(H,5,6)