2-[(2,3-dinitrophenyl)amino]hexanoic acid

Systemtic Name: 2-[(2,3-dinitrophenyl)amino]hexanoic acid Openeye Name: 2-(2,3-dinitroanilino)hexanoic acid CAS Name: 2-(2,3-dinitroanilino)hexanoic acid IUPAC Name: 2-(2,3-dinitroanilino)hexanoic acid Traditional Name: 2-(2,3-dinitroanilino)hexanoic acid Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O6/c1-2-3-5-9(12(16)17)13-8-6-4-7-10(14(18)19)11(8)15(20)21/h4,6-7,9,13H,2-3,5H2,1H3,(H,16,17)