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ethanedioic acid; 1-[3-(5-methyl-2-nitro-phenoxy)propylamino]propan-2-ol

ethanedioic acid; 1-[3-(5-methyl-2-nitro-phenoxy)propylamino]propan-2-ol

Systemtic Name:ethanedioic acid; 1-[3-(5-methyl-2-nitro-phenoxy)propylamino]propan-2-ol
Openeye Name:1-[3-(5-methyl-2-nitro-phenoxy)propylamino]propan-2-ol; oxalic acid
CAS Name:1-[3-(5-methyl-2-nitrophenoxy)propylamino]-2-propanol; oxalic acid
IUPAC Name:1-[3-(5-methyl-2-nitrophenoxy)propylamino]propan-2-ol; oxalic acid
Traditional Name:1-[3-(5-methyl-2-nitro-phenoxy)propylamino]propan-2-ol; oxalic acid
Formula: C15H22N2O8
MolecularWeight: 358.34378
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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