ethanedioic acid; 1-methoxy-N-[(3-nitrophenyl)methyl]propan-2-amine

Systemtic Name: ethanedioic acid; 1-methoxy-N-[(3-nitrophenyl)methyl]propan-2-amine Openeye Name: 1-methoxy-N-[(3-nitrophenyl)methyl]propan-2-amine; oxalic acid CAS Name: 1-methoxy-N-[(3-nitrophenyl)methyl]-2-propanamine; oxalic acid IUPAC Name: 1-methoxy-N-[(3-nitrophenyl)methyl]propan-2-amine; oxalic acid Traditional Name: (2-methoxy-1-methyl-ethyl)-(3-nitrobenzyl)amine; oxalic acid Formula: C13H18N2O7 MolecularWeight: 314.29122

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NCC1=CC(=CC=C1)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC(COC)NCC1=CC(=CC=C1)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C11H16N2O3.C2H2O4/c1-9(8-16-2)12-7-10-4-3-5-11(6-10)13(14)15;3-1(4)2(5)6/h3-6,9,12H,7-8H2,1-2H3;(H,3,4)(H,5,6)