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

Systemtic Name: triethyl-[2-[[4-nitro-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]azanium bromide Openeye Name: [2-(2-benzoyl-4-nitro-anilino)-2-oxo-ethyl]-triethyl-ammonium bromide CAS Name: [2-(2-benzoyl-4-nitroanilino)-2-oxoethyl]-triethylammonium bromide IUPAC Name: [2-(2-benzoyl-4-nitroanilino)-2-oxoethyl]-triethylazanium bromide Traditional Name: [2-(2-benzoyl-4-nitro-anilino)-2-keto-ethyl]-triethyl-ammonium bromide Formula: C21H26BrN3O4 MolecularWeight: 464.35284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4.BrH/c1-4-24(5-2,6-3)15-20(25)22-19-13-12-17(23(27)28)14-18(19)21(26)16-10-8-7-9-11-16;/h7-14H,4-6,15H2,1-3H3;1H