ethanedioic acid; 2-[4-(4-methyl-2-nitro-phenoxy)butylamino]ethanol

Systemtic Name: ethanedioic acid; 2-[4-(4-methyl-2-nitro-phenoxy)butylamino]ethanol Openeye Name: 2-[4-(4-methyl-2-nitro-phenoxy)butylamino]ethanol; oxalic acid CAS Name: 2-[4-(4-methyl-2-nitrophenoxy)butylamino]ethanol; oxalic acid IUPAC Name: 2-[4-(4-methyl-2-nitrophenoxy)butylamino]ethanol; oxalic acid Traditional Name: 2-[4-(4-methyl-2-nitro-phenoxy)butylamino]ethanol; oxalic acid Formula: C15H22N2O8 MolecularWeight: 358.34378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4.C2H2O4/c1-11-4-5-13(12(10-11)15(17)18)19-9-3-2-6-14-7-8-16;3-1(4)2(5)6/h4-5,10,14,16H,2-3,6-9H2,1H3;(H,3,4)(H,5,6)