[2-(2-azanyl-5-nitro-3-phenoxy-phenyl)-2-oxidanylidene-ethyl]-trimethyl-azanium chloride

Systemtic Name: [2-(2-azanyl-5-nitro-3-phenoxy-phenyl)-2-oxidanylidene-ethyl]-trimethyl-azanium chloride Openeye Name: [2-(2-amino-5-nitro-3-phenoxy-phenyl)-2-oxo-ethyl]-trimethyl-ammonium chloride CAS Name: [2-(2-amino-5-nitro-3-phenoxyphenyl)-2-oxoethyl]-trimethylammonium chloride IUPAC Name: [2-(2-amino-5-nitro-3-phenoxyphenyl)-2-oxoethyl]-trimethylazanium chloride Traditional Name: [2-(2-amino-5-nitro-3-phenoxy-phenyl)-2-keto-ethyl]-trimethyl-ammonium chloride Formula: C17H20ClN3O4 MolecularWeight: 365.8114

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(=O)C1=CC(=CC(=C1N)OC2=CC=CC=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C[N+](C)(C)CC(=O)C1=CC(=CC(=C1N)OC2=CC=CC=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C17H19N3O4.ClH/c1-20(2,3)11-15(21)14-9-12(19(22)23)10-16(17(14)18)24-13-7-5-4-6-8-13;/h4-10H,11H2,1-3H3,(H-,18,21);1H