6-[(2,3-dinitrophenyl)amino]hexanoic acid

Systemtic Name: 6-[(2,3-dinitrophenyl)amino]hexanoic acid Openeye Name: 6-(2,3-dinitroanilino)hexanoic acid CAS Name: 6-(2,3-dinitroanilino)hexanoic acid IUPAC Name: 6-(2,3-dinitroanilino)hexanoic acid Traditional Name: 6-(2,3-dinitroanilino)hexanoic acid Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O6/c16-11(17)7-2-1-3-8-13-9-5-4-6-10(14(18)19)12(9)15(20)21/h4-6,13H,1-3,7-8H2,(H,16,17)