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

Systemtic Name: 2,6-bis[(2,3-dinitrophenyl)amino]hexanoic acid Openeye Name: 2,6-bis(2,3-dinitroanilino)hexanoic acid CAS Name: 2,6-bis(2,3-dinitroanilino)hexanoic acid IUPAC Name: 2,6-bis(2,3-dinitroanilino)hexanoic acid Traditional Name: 2,6-bis(2,3-dinitroanilino)hexanoic acid Formula: C18H18N6O10 MolecularWeight: 478.36972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])NCCCCC(C(=O)O)NC2=C(C(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])NCCCCC(C(=O)O)NC2=C(C(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O10/c25-18(26)13(20-12-7-4-9-15(22(29)30)17(12)24(33)34)5-1-2-10-19-11-6-3-8-14(21(27)28)16(11)23(31)32/h3-4,6-9,13,19-20H,1-2,5,10H2,(H,25,26)