6-azanyl-2-[bis(4-nitrophenyl)amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[bis(4-nitrophenyl)amino]hexanoic acid Openeye Name: 6-amino-2-(4-nitro-N-(4-nitrophenyl)anilino)hexanoic acid CAS Name: 6-amino-2-(4-nitro-N-(4-nitrophenyl)anilino)hexanoic acid IUPAC Name: 6-amino-2-(4-nitro-N-(4-nitrophenyl)anilino)hexanoic acid Traditional Name: 6-amino-2-(4-nitro-N-(4-nitrophenyl)anilino)hexanoic acid Formula: C18H20N4O6 MolecularWeight: 388.3746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(C2=CC=C(C=C2)[N+](=O)[O-])C(CCCCN)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N(C2=CC=C(C=C2)[N+](=O)[O-])C(CCCCN)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6/c19-12-2-1-3-17(18(23)24)20(13-4-8-15(9-5-13)21(25)26)14-6-10-16(11-7-14)22(27)28/h4-11,17H,1-3,12,19H2,(H,23,24)