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

Systemtic Name: 6-azanyl-2-[(2,3-dinitrophenyl)amino]hexanoic acid Openeye Name: 6-amino-2-(2,3-dinitroanilino)hexanoic acid CAS Name: 6-amino-2-(2,3-dinitroanilino)hexanoic acid IUPAC Name: 6-amino-2-(2,3-dinitroanilino)hexanoic acid Traditional Name: 6-amino-2-(2,3-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-])NC(CCCCN)C(=O)O

InChI

InChI=1S/C12H16N4O6/c13-7-2-1-4-9(12(17)18)14-8-5-3-6-10(15(19)20)11(8)16(21)22/h3,5-6,9,14H,1-2,4,7,13H2,(H,17,18)