1-(8-chloranyl-2-methyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)propan-2-yl-dimethyl-azanium chloride

Systemtic Name: 1-(8-chloranyl-2-methyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)propan-2-yl-dimethyl-azanium chloride Openeye Name: [2-(8-chloro-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)-1-methyl-ethyl]-dimethyl-ammonium chloride CAS Name: 1-(8-chloro-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl-dimethylammonium chloride IUPAC Name: 1-(8-chloro-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl-dimethylazanium chloride Traditional Name: [2-(8-chloro-3-keto-2-methyl-6-nitro-1,4-benzoxazin-4-yl)-1-methyl-ethyl]-dimethyl-ammonium chloride Formula: C14H19Cl2N3O4 MolecularWeight: 364.22436

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC(=CC(=C2O1)Cl)[N+](=O)[O-])CC(C)[NH+](C)C.[Cl-]

Isomeric SMILES

CC1C(=O)N(C2=CC(=CC(=C2O1)Cl)[N+](=O)[O-])CC(C)[NH+](C)C.[Cl-]

InChI

InChI=1S/C14H18ClN3O4.ClH/c1-8(16(3)4)7-17-12-6-10(18(20)21)5-11(15)13(12)22-9(2)14(17)19;/h5-6,8-9H,7H2,1-4H3;1H