diethyl 2-[1-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)ethoxymethyl]propanedioate

Systemtic Name: diethyl 2-[1-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)ethoxymethyl]propanedioate Openeye Name: diethyl 2-[1-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)ethoxymethyl]propanedioate CAS Name: 2-[1-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)ethoxymethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)ethoxymethyl]propanedioate Traditional Name: 2-[1-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)ethoxymethyl]malonic acid diethyl ester Formula: C20H28N2O8 MolecularWeight: 424.44492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(COC(C)N1CC(OC2=C1C=C(C=C2)[N+](=O)[O-])(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(COC(C)N1CC(OC2=C1C=C(C=C2)[N+](=O)[O-])(C)C)C(=O)OCC

InChI

InChI=1S/C20H28N2O8/c1-6-27-18(23)15(19(24)28-7-2)11-29-13(3)21-12-20(4,5)30-17-9-8-14(22(25)26)10-16(17)21/h8-10,13,15H,6-7,11-12H2,1-5H3