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

Systemtic Name: dimethyl-[1-(2-methyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)propan-2-yl]azanium chloride Openeye Name: dimethyl-[1-methyl-2-(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)ethyl]ammonium chloride CAS Name: dimethyl-[1-(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl]ammonium chloride IUPAC Name: dimethyl-[1-(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl]azanium chloride Traditional Name: [2-(3-keto-2-methyl-6-nitro-1,4-benzoxazin-4-yl)-1-methyl-ethyl]-dimethyl-ammonium chloride Formula: C14H20ClN3O4 MolecularWeight: 329.7793

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(C)[NH+](C)C.[Cl-]

Isomeric SMILES

CC1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(C)[NH+](C)C.[Cl-]

InChI

InChI=1S/C14H19N3O4.ClH/c1-9(15(3)4)8-16-12-7-11(17(19)20)5-6-13(12)21-10(2)14(16)18;/h5-7,9-10H,8H2,1-4H3;1H