N,N-diethyl-3-(4-methyl-2-nitro-phenoxy)propan-1-amine; ethanedioic acid

Systemtic Name: N,N-diethyl-3-(4-methyl-2-nitro-phenoxy)propan-1-amine; ethanedioic acid Openeye Name: N,N-diethyl-3-(4-methyl-2-nitro-phenoxy)propan-1-amine; oxalic acid CAS Name: N,N-diethyl-3-(4-methyl-2-nitrophenoxy)-1-propanamine; oxalic acid IUPAC Name: N,N-diethyl-3-(4-methyl-2-nitrophenoxy)propan-1-amine; oxalic acid Traditional Name: diethyl-[3-(4-methyl-2-nitro-phenoxy)propyl]amine; oxalic acid Formula: C16H24N2O7 MolecularWeight: 356.37096

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCOC1=C(C=C(C=C1)C)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCCOC1=C(C=C(C=C1)C)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C14H22N2O3.C2H2O4/c1-4-15(5-2)9-6-10-19-14-8-7-12(3)11-13(14)16(17)18;3-1(4)2(5)6/h7-8,11H,4-6,9-10H2,1-3H3;(H,3,4)(H,5,6)