4-nitro-N-(2-oxidanylidene-1-phenyl-1-pyridin-2-yl-propyl)benzamide bromide

Systemtic Name: 4-nitro-N-(2-oxidanylidene-1-phenyl-1-pyridin-2-yl-propyl)benzamide bromide Openeye Name: 4-nitro-N-[2-oxo-1-phenyl-1-(2-pyridyl)propyl]benzamide bromide CAS Name: 4-nitro-N-[2-oxo-1-phenyl-1-(2-pyridinyl)propyl]benzamide bromide IUPAC Name: 4-nitro-N-(2-oxo-1-phenyl-1-pyridin-2-ylpropyl)benzamide bromide Traditional Name: N-[2-keto-1-phenyl-1-(2-pyridyl)propyl]-4-nitro-benzamide bromide Formula: C21H17BrN3O4- MolecularWeight: 455.28138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=CC=C1)(C2=CC=CC=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC(=O)C(C1=CC=CC=C1)(C2=CC=CC=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

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