(2S)-6-azanyl-2-[(2,4-dinitrophenyl)amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[(2,4-dinitrophenyl)amino]hexanoic acid Openeye Name: (2S)-6-amino-2-(2,4-dinitroanilino)hexanoic acid CAS Name: (2S)-6-amino-2-(2,4-dinitroanilino)hexanoic acid IUPAC Name: (2S)-6-amino-2-(2,4-dinitroanilino)hexanoic acid Traditional Name: (2S)-6-amino-2-(2,4-dinitroanilino)hexanoic acid Formula: C12H16N4O6 MolecularWeight: 312.27864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C12H16N4O6/c13-6-2-1-3-10(12(17)18)14-9-5-4-8(15(19)20)7-11(9)16(21)22/h4-5,7,10,14H,1-3,6,13H2,(H,17,18)/t10-/m0/s1