2-[(2,4-dinitrophenyl)amino]hexanoic acid; 1-oxidanylpyrrolidine-2,5-dione

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]hexanoic acid; 1-oxidanylpyrrolidine-2,5-dione Openeye Name: 2-(2,4-dinitroanilino)hexanoic acid; 1-hydroxypyrrolidine-2,5-dione CAS Name: 2-(2,4-dinitroanilino)hexanoic acid; 1-hydroxypyrrolidine-2,5-dione IUPAC Name: 2-(2,4-dinitroanilino)hexanoic acid; 1-hydroxypyrrolidine-2,5-dione Traditional Name: 2-(2,4-dinitroanilino)hexanoic acid; 1-hydroxypyrrolidine-2,5-quinone Formula: C16H20N4O9 MolecularWeight: 412.3514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-].C1CC(=O)N(C1=O)O

Isomeric SMILES

CCCCC(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-].C1CC(=O)N(C1=O)O

InChI

InChI=1S/C12H15N3O6.C4H5NO3/c1-2-3-4-10(12(16)17)13-9-6-5-8(14(18)19)7-11(9)15(20)21;6-3-1-2-4(7)5(3)8/h5-7,10,13H,2-4H2,1H3,(H,16,17);8H,1-2H2