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

Systemtic Name: 2,6-bis[(2,4-dinitrophenyl)amino]hexanoic acid Openeye Name: 2,6-bis(2,4-dinitroanilino)hexanoic acid CAS Name: 2,6-bis(2,4-dinitroanilino)hexanoic acid IUPAC Name: 2,6-bis(2,4-dinitroanilino)hexanoic acid Traditional Name: 2,6-bis(2,4-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=C(C=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=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O10/c25-18(26)15(20-14-7-5-12(22(29)30)10-17(14)24(33)34)3-1-2-8-19-13-6-4-11(21(27)28)9-16(13)23(31)32/h4-7,9-10,15,19-20H,1-3,8H2,(H,25,26)