1-(2,4-dinitrophenyl)pyridin-1-ium-3-carboxamide iodide

Systemtic Name: 1-(2,4-dinitrophenyl)pyridin-1-ium-3-carboxamide iodide Openeye Name: 1-(2,4-dinitrophenyl)pyridin-1-ium-3-carboxamide iodide CAS Name: 1-(2,4-dinitrophenyl)-3-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-(2,4-dinitrophenyl)pyridin-1-ium-3-carboxamide iodide Traditional Name: 1-(2,4-dinitrophenyl)pyridin-1-ium-3-carboxamide iodide Formula: C12H9IN4O5 MolecularWeight: 416.12813

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N.[I-]

Isomeric SMILES

C1=CC(=C[N+](=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N.[I-]

InChI

InChI=1S/C12H8N4O5.HI/c13-12(17)8-2-1-5-14(7-8)10-4-3-9(15(18)19)6-11(10)16(20)21;/h1-7H,(H-,13,17);1H