ethanedioic acid; N-[2-(2-nitrophenoxy)ethyl]butan-2-amine

Systemtic Name: ethanedioic acid; N-[2-(2-nitrophenoxy)ethyl]butan-2-amine Openeye Name: N-[2-(2-nitrophenoxy)ethyl]butan-2-amine; oxalic acid CAS Name: N-[2-(2-nitrophenoxy)ethyl]-2-butanamine; oxalic acid IUPAC Name: N-[2-(2-nitrophenoxy)ethyl]butan-2-amine; oxalic acid Traditional Name: 2-(2-nitrophenoxy)ethyl-sec-butyl-amine; oxalic acid Formula: C14H20N2O7 MolecularWeight: 328.3178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCOC1=CC=CC=C1[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)NCCOC1=CC=CC=C1[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C12H18N2O3.C2H2O4/c1-3-10(2)13-8-9-17-12-7-5-4-6-11(12)14(15)16;3-1(4)2(5)6/h4-7,10,13H,3,8-9H2,1-2H3;(H,3,4)(H,5,6)