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

Systemtic Name: ethanedioic acid; N-(furan-2-ylmethyl)-4-(4-nitrophenoxy)butan-1-amine Openeye Name: N-(2-furylmethyl)-4-(4-nitrophenoxy)butan-1-amine; oxalic acid CAS Name: N-(2-furanylmethyl)-4-(4-nitrophenoxy)-1-butanamine; oxalic acid IUPAC Name: N-(furan-2-ylmethyl)-4-(4-nitrophenoxy)butan-1-amine; oxalic acid Traditional Name: 2-furfuryl-[4-(4-nitrophenoxy)butyl]amine; oxalic acid Formula: C17H20N2O8 MolecularWeight: 380.3493

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNCCCCOC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1=COC(=C1)CNCCCCOC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H18N2O4.C2H2O4/c18-17(19)13-5-7-14(8-6-13)20-10-2-1-9-16-12-15-4-3-11-21-15;3-1(4)2(5)6/h3-8,11,16H,1-2,9-10,12H2;(H,3,4)(H,5,6)