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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OCCCNCC2=CC=CO2.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OCCCNCC2=CC=CO2.C(=O)(C(=O)O)O

InChI

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