N-[(2-nitrophenyl)methoxy]-1-[1-[3-[4-[(E)-(2-nitrophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methanimine dibromide

Systemtic Name: N-[(2-nitrophenyl)methoxy]-1-[1-[3-[4-[(E)-(2-nitrophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methanimine dibromide Openeye Name: N-[(2-nitrophenyl)methoxy]-1-[1-[3-[4-[(E)-(2-nitrophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methanimine dibromide CAS Name: N-[(2-nitrophenyl)methoxy]-1-[1-[3-[4-[(E)-(2-nitrophenyl)methoxyiminomethyl]-1-pyridin-1-iumyl]propyl]-4-pyridin-1-iumyl]methanimine dibromide IUPAC Name: N-[(2-nitrophenyl)methoxy]-1-[1-[3-[4-[(E)-(2-nitrophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methanimine dibromide Traditional Name: (E)-[1-[3-[4-[(E)-(2-nitrobenzyl)oximinomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methylene-(2-nitrobenzyl)oxy-amine dibromide Formula: C29H28Br2N6O6 MolecularWeight: 716.37722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CON=CC2=CC=[N+](C=C2)CCC[N+]3=CC=C(C=C3)C=NOCC4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-].[Br-].[Br-]

Isomeric SMILES

C1=CC=C(C(=C1)CO/N=C/C2=CC=[N+](C=C2)CCC[N+]3=CC=C(C=C3)/C=N/OCC4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-].[Br-].[Br-]

InChI

InChI=1S/C29H28N6O6.2BrH/c36-34(37)28-8-3-1-6-26(28)22-40-30-20-24-10-16-32(17-11-24)14-5-15-33-18-12-25(13-19-33)21-31-41-23-27-7-2-4-9-29(27)35(38)39;;/h1-4,6-13,16-21H,5,14-15,22-23H2;2*1H/q+2;;/p-2/b30-20+,31-21+;;