5-nitro-N1-pyridin-1-ium-3-yl-N3-pyridin-3-yl-benzene-1,3-dicarboxamide

Systemtic Name: 5-nitro-N1-pyridin-1-ium-3-yl-N3-pyridin-3-yl-benzene-1,3-dicarboxamide Openeye Name: 5-nitro-N1-pyridin-1-ium-3-yl-N3-(3-pyridyl)benzene-1,3-dicarboxamide CAS Name: 5-nitro-N1-(3-pyridin-1-iumyl)-N3-(3-pyridinyl)benzene-1,3-dicarboxamide IUPAC Name: 5-nitro-1-N-pyridin-1-ium-3-yl-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide Traditional Name: 5-nitro-N-pyridin-1-ium-3-yl-N'-(3-pyridyl)isophthalamide Formula: C18H14N5O4+ MolecularWeight: 364.33486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)NC(=O)C2=CC(=CC(=C2)C(=O)NC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C[NH+]=C1)NC(=O)C2=CC(=CC(=C2)C(=O)NC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O4/c24-17(21-14-3-1-5-19-10-14)12-7-13(9-16(8-12)23(26)27)18(25)22-15-4-2-6-20-11-15/h1-11H,(H,21,24)(H,22,25)/p+1