dimethyl-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium bromide

Systemtic Name: dimethyl-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium bromide Openeye Name: benzyl-dimethyl-[2-(3-nitroanilino)-2-oxo-ethyl]ammonium bromide CAS Name: dimethyl-[2-(3-nitroanilino)-2-oxoethyl]-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-dimethyl-[2-(3-nitroanilino)-2-oxoethyl]azanium bromide Traditional Name: benzyl-[2-keto-2-(3-nitroanilino)ethyl]-dimethyl-ammonium bromide Formula: C17H20BrN3O3 MolecularWeight: 394.263

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC=CC=C1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

C[N+](C)(CC1=CC=CC=C1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C17H19N3O3.BrH/c1-20(2,12-14-7-4-3-5-8-14)13-17(21)18-15-9-6-10-16(11-15)19(22)23;/h3-11H,12-13H2,1-2H3;1H