ethanedioic acid; N'-[4-(4-methyl-2-nitro-phenoxy)butyl]ethane-1,2-diamine

Systemtic Name: ethanedioic acid; N'-[4-(4-methyl-2-nitro-phenoxy)butyl]ethane-1,2-diamine Openeye Name: N'-[4-(4-methyl-2-nitro-phenoxy)butyl]ethane-1,2-diamine; oxalic acid CAS Name: N'-[4-(4-methyl-2-nitrophenoxy)butyl]ethane-1,2-diamine; oxalic acid IUPAC Name: N'-[4-(4-methyl-2-nitrophenoxy)butyl]ethane-1,2-diamine; oxalic acid Traditional Name: 2-aminoethyl-[4-(4-methyl-2-nitro-phenoxy)butyl]amine; oxalic acid Formula: C15H23N3O7 MolecularWeight: 357.35902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCNCCN)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCNCCN)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C13H21N3O3.C2H2O4/c1-11-4-5-13(12(10-11)16(17)18)19-9-3-2-7-15-8-6-14;3-1(4)2(5)6/h4-5,10,15H,2-3,6-9,14H2,1H3;(H,3,4)(H,5,6)