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

Systemtic Name: ethanedioic acid; N-[3-(3-methyl-4-nitro-phenoxy)propyl]butan-2-amine Openeye Name: N-[3-(3-methyl-4-nitro-phenoxy)propyl]butan-2-amine; oxalic acid CAS Name: N-[3-(3-methyl-4-nitrophenoxy)propyl]-2-butanamine; oxalic acid IUPAC Name: N-[3-(3-methyl-4-nitrophenoxy)propyl]butan-2-amine; oxalic acid Traditional Name: 3-(3-methyl-4-nitro-phenoxy)propyl-sec-butyl-amine; oxalic acid Formula: C16H24N2O7 MolecularWeight: 356.37096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)NCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C.C(=O)(C(=O)O)O

InChI

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