N-[1-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-yl]benzamide bromide hydrate

Systemtic Name: N-[1-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-yl]benzamide bromide hydrate Openeye Name: N-[1-[2-(3-nitrophenyl)-2-oxo-ethyl]pyridin-1-ium-3-yl]benzamide bromide hydrate CAS Name: N-[1-[2-(3-nitrophenyl)-2-oxoethyl]-3-pyridin-1-iumyl]benzamide bromide hydrate IUPAC Name: N-[1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium-3-yl]benzamide bromide hydrate Traditional Name: N-[1-[2-keto-2-(3-nitrophenyl)ethyl]pyridin-1-ium-3-yl]benzamide bromide hydrate Formula: C20H18BrN3O5 MolecularWeight: 460.27802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C[N+](=CC=C2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C[N+](=CC=C2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].O.[Br-]

InChI

InChI=1S/C20H15N3O4.BrH.H2O/c24-19(16-8-4-10-18(12-16)23(26)27)14-22-11-5-9-17(13-22)21-20(25)15-6-2-1-3-7-15;;/h1-13H,14H2;1H;1H2