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

Systemtic Name: 1-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide hydrate Openeye Name: 1-[2-(3-nitrophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide bromide hydrate CAS Name: 1-[2-(3-nitrophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide bromide hydrate IUPAC Name: 1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxamide bromide hydrate Traditional Name: 1-[2-keto-2-(3-nitrophenyl)ethyl]pyridin-1-ium-3-carboxamide bromide hydrate Formula: C14H14BrN3O5 MolecularWeight: 384.18206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C[N+]2=CC=CC(=C2)C(=O)N.O.[Br-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C[N+]2=CC=CC(=C2)C(=O)N.O.[Br-]

InChI

InChI=1S/C14H11N3O4.BrH.H2O/c15-14(19)11-4-2-6-16(8-11)9-13(18)10-3-1-5-12(7-10)17(20)21;;/h1-8H,9H2,(H-,15,19);1H;1H2