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

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

Systemtic Name:diethyl-[2-(2-methyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethyl]azanium chloride
Openeye Name:diethyl-[2-(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)ethyl]ammonium chloride
CAS Name:diethyl-[2-(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)ethyl]ammonium chloride
IUPAC Name:diethyl-[2-(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)ethyl]azanium chloride
Traditional Name:diethyl-[2-(3-keto-2-methyl-6-nitro-1,4-benzoxazin-4-yl)ethyl]ammonium chloride
Formula: C15H22ClN3O4
MolecularWeight: 343.80588
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=C(C=CC(=C2)[N+](=O)[O-])OC(C1=O)C.[Cl-]


Isomeric SMILES

CC[NH+](CC)CCN1C2=C(C=CC(=C2)[N+](=O)[O-])OC(C1=O)C.[Cl-]


InChI

InChI=1S/C15H21N3O4.ClH/c1-4-16(5-2)8-9-17-13-10-12(18(20)21)6-7-14(13)22-11(3)15(17)19;/h6-7,10-11H,4-5,8-9H2,1-3H3;1H


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