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

Systemtic Name: N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-2-nitro-4-[(6-nitroquinolin-4-yl)amino]benzamide Openeye Name: N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-2-nitro-4-[(6-nitro-4-quinolyl)amino]benzamide CAS Name: N-[4-[(1-methyl-4-pyridin-1-iumyl)amino]phenyl]-2-nitro-4-[(6-nitro-4-quinolinyl)amino]benzamide IUPAC Name: N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-2-nitro-4-[(6-nitroquinolin-4-yl)amino]benzamide Traditional Name: N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-2-nitro-4-[(6-nitro-4-quinolyl)amino]benzamide Formula: C28H22N7O5+ MolecularWeight: 536.51818

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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=NC=C4)[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=NC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H21N7O5/c1-33-14-11-20(12-15-33)30-18-2-4-19(5-3-18)32-28(36)23-8-6-21(16-27(23)35(39)40)31-26-10-13-29-25-9-7-22(34(37)38)17-24(25)26/h2-17H,1H3,(H2,29,31,32,36)/p+1