ethanedioic acid; N-[2-(4-methyl-2-nitro-phenoxy)ethyl]butan-1-amine

Systemtic Name: ethanedioic acid; N-[2-(4-methyl-2-nitro-phenoxy)ethyl]butan-1-amine Openeye Name: N-[2-(4-methyl-2-nitro-phenoxy)ethyl]butan-1-amine; oxalic acid CAS Name: N-[2-(4-methyl-2-nitrophenoxy)ethyl]-1-butanamine; oxalic acid IUPAC Name: N-[2-(4-methyl-2-nitrophenoxy)ethyl]butan-1-amine; oxalic acid Traditional Name: butyl-[2-(4-methyl-2-nitro-phenoxy)ethyl]amine; oxalic acid Formula: C15H22N2O7 MolecularWeight: 342.34438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCOC1=C(C=C(C=C1)C)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCOC1=C(C=C(C=C1)C)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20N2O3.C2H2O4/c1-3-4-7-14-8-9-18-13-6-5-11(2)10-12(13)15(16)17;3-1(4)2(5)6/h5-6,10,14H,3-4,7-9H2,1-2H3;(H,3,4)(H,5,6)