ethanedioic acid; N-[3-(4-methyl-2-nitro-phenoxy)propyl]butan-1-amine

Systemtic Name: ethanedioic acid; N-[3-(4-methyl-2-nitro-phenoxy)propyl]butan-1-amine Openeye Name: N-[3-(4-methyl-2-nitro-phenoxy)propyl]butan-1-amine; oxalic acid CAS Name: N-[3-(4-methyl-2-nitrophenoxy)propyl]-1-butanamine; oxalic acid IUPAC Name: N-[3-(4-methyl-2-nitrophenoxy)propyl]butan-1-amine; oxalic acid Traditional Name: butyl-[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:

CCCCNCCCOC1=C(C=C(C=C1)C)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCCOC1=C(C=C(C=C1)C)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C14H22N2O3.C2H2O4/c1-3-4-8-15-9-5-10-19-14-7-6-12(2)11-13(14)16(17)18;3-1(4)2(5)6/h6-7,11,15H,3-5,8-10H2,1-2H3;(H,3,4)(H,5,6)