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

Systemtic Name: 1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[2-(4-nitrophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[2-(4-nitrophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(4-nitrophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[2-keto-2-(4-nitrophenyl)ethyl]pyridin-1-ium-3-carboxamide bromide Formula: C14H12BrN3O4 MolecularWeight: 366.16678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O4.BrH/c15-14(19)11-2-1-7-16(8-11)9-13(18)10-3-5-12(6-4-10)17(20)21;/h1-8H,9H2,(H-,15,19);1H