trimethyl-[2-[[4-nitro-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]azanium bromide

Systemtic Name: trimethyl-[2-[[4-nitro-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]azanium bromide Openeye Name: [2-(2-benzoyl-4-nitro-anilino)-2-oxo-ethyl]-trimethyl-ammonium bromide CAS Name: [2-(2-benzoyl-4-nitroanilino)-2-oxoethyl]-trimethylammonium bromide IUPAC Name: [2-(2-benzoyl-4-nitroanilino)-2-oxoethyl]-trimethylazanium bromide Traditional Name: [2-(2-benzoyl-4-nitro-anilino)-2-keto-ethyl]-trimethyl-ammonium bromide Formula: C18H20BrN3O4 MolecularWeight: 422.2731

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+](C)(C)CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C18H19N3O4.BrH/c1-21(2,3)12-17(22)19-16-10-9-14(20(24)25)11-15(16)18(23)13-7-5-4-6-8-13;/h4-11H,12H2,1-3H3;1H