(2S)-2-[(2,4-dinitrophenyl)amino]hexanoic acid

Systemtic Name: (2S)-2-[(2,4-dinitrophenyl)amino]hexanoic acid Openeye Name: (2S)-2-(2,4-dinitroanilino)hexanoic acid CAS Name: (2S)-2-(2,4-dinitroanilino)hexanoic acid IUPAC Name: (2S)-2-(2,4-dinitroanilino)hexanoic acid Traditional Name: (2S)-2-(2,4-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=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC[C@@H](C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O6/c1-2-3-4-10(12(16)17)13-9-6-5-8(14(18)19)7-11(9)15(20)21/h5-7,10,13H,2-4H2,1H3,(H,16,17)/t10-/m0/s1