ethanedioic acid; 1-[2-(3-methyl-4-nitro-phenoxy)ethyl]pyrrolidine

Systemtic Name: ethanedioic acid; 1-[2-(3-methyl-4-nitro-phenoxy)ethyl]pyrrolidine Openeye Name: 1-[2-(3-methyl-4-nitro-phenoxy)ethyl]pyrrolidine; oxalic acid CAS Name: 1-[2-(3-methyl-4-nitrophenoxy)ethyl]pyrrolidine; oxalic acid IUPAC Name: 1-[2-(3-methyl-4-nitrophenoxy)ethyl]pyrrolidine; oxalic acid Traditional Name: 1-[2-(3-methyl-4-nitro-phenoxy)ethyl]pyrrolidine; oxalic acid Formula: C15H20N2O7 MolecularWeight: 340.3285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCN2CCCC2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCN2CCCC2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C13H18N2O3.C2H2O4/c1-11-10-12(4-5-13(11)15(16)17)18-9-8-14-6-2-3-7-14;3-1(4)2(5)6/h4-5,10H,2-3,6-9H2,1H3;(H,3,4)(H,5,6)