ethanedioic acid; N-[2-(5-methyl-2-nitro-phenoxy)ethyl]-2-morpholin-4-yl-ethanamine

Systemtic Name: ethanedioic acid; N-[2-(5-methyl-2-nitro-phenoxy)ethyl]-2-morpholin-4-yl-ethanamine Openeye Name: N-[2-(5-methyl-2-nitro-phenoxy)ethyl]-2-morpholino-ethanamine; oxalic acid CAS Name: N-[2-(5-methyl-2-nitrophenoxy)ethyl]-2-(4-morpholinyl)ethanamine; oxalic acid IUPAC Name: N-[2-(5-methyl-2-nitrophenoxy)ethyl]-2-morpholin-4-ylethanamine; oxalic acid Traditional Name: 2-(5-methyl-2-nitro-phenoxy)ethyl-(2-morpholinoethyl)amine; oxalic acid Formula: C17H25N3O8 MolecularWeight: 399.3957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCNCCN2CCOCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCNCCN2CCOCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23N3O4.C2H2O4/c1-13-2-3-14(18(19)20)15(12-13)22-9-5-16-4-6-17-7-10-21-11-8-17;3-1(4)2(5)6/h2-3,12,16H,4-11H2,1H3;(H,3,4)(H,5,6)