4-[(1-methyl-6-nitro-quinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-2-nitro-benzamide

Systemtic Name: 4-[(1-methyl-6-nitro-quinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-2-nitro-benzamide Openeye Name: 4-[(1-methyl-6-nitro-quinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-2-nitro-benzamide CAS Name: 4-[(1-methyl-6-nitro-4-quinolin-1-iumyl)amino]-N-[4-[(1-methyl-4-pyridin-1-iumyl)amino]phenyl]-2-nitrobenzamide IUPAC Name: 4-[(1-methyl-6-nitroquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-2-nitrobenzamide Traditional Name: 4-[(1-methyl-6-nitro-quinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-2-nitro-benzamide Formula: C29H25N7O5+2 MolecularWeight: 551.5527

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C29H23N7O5/c1-33-14-11-21(12-15-33)30-19-3-5-20(6-4-19)32-29(37)24-9-7-22(17-28(24)36(40)41)31-26-13-16-34(2)27-10-8-23(35(38)39)18-25(26)27/h3-18H,1-2H3,(H,32,37)/p+2