N-[1-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-yl]benzamide bromide

Systemtic Name: N-[1-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-yl]benzamide bromide Openeye Name: N-[1-[2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl]pyridin-1-ium-3-yl]benzamide bromide CAS Name: N-[1-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-3-pyridin-1-iumyl]benzamide bromide IUPAC Name: N-[1-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]pyridin-1-ium-3-yl]benzamide bromide Traditional Name: N-[1-[2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl]pyridin-1-ium-3-yl]benzamide bromide Formula: C21H18BrN3O5 MolecularWeight: 472.28872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)NC(=O)C3=CC=CC=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)NC(=O)C3=CC=CC=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C21H17N3O5.BrH/c1-29-20-10-9-16(12-18(20)24(27)28)19(25)14-23-11-5-8-17(13-23)22-21(26)15-6-3-2-4-7-15;/h2-13H,14H2,1H3;1H