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

Systemtic Name: N-[1-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-yl]benzamide bromide Openeye Name: N-[1-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]pyridin-1-ium-3-yl]benzamide bromide CAS Name: N-[1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-3-pyridin-1-iumyl]benzamide bromide IUPAC Name: N-[1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]pyridin-1-ium-3-yl]benzamide bromide Traditional Name: N-[1-[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]pyridin-1-ium-3-yl]benzamide bromide Formula: C21H18BrN3O4 MolecularWeight: 456.28932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C21H17N3O4.BrH/c1-15-9-10-17(12-19(15)24(27)28)20(25)14-23-11-5-8-18(13-23)22-21(26)16-6-3-2-4-7-16;/h2-13H,14H2,1H3;1H