1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-N-phenyl-pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-N-phenyl-pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[2-(4-nitrophenyl)-2-oxo-ethyl]-N-phenyl-pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[2-(4-nitrophenyl)-2-oxoethyl]-N-phenyl-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(4-nitrophenyl)-2-oxoethyl]-N-phenylpyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[2-keto-2-(4-nitrophenyl)ethyl]-N-phenyl-pyridin-1-ium-3-carboxamide bromide Formula: C20H16BrN3O4 MolecularWeight: 442.26274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C20H15N3O4.BrH/c24-19(15-8-10-18(11-9-15)23(26)27)14-22-12-4-5-16(13-22)20(25)21-17-6-2-1-3-7-17;/h1-13H,14H2;1H