5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylate

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylate Openeye Name: 5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylate CAS Name: 5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylate IUPAC Name: 5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylate Traditional Name: 5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylate Formula: C12H12NO6- MolecularWeight: 266.22678

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1(COC(OC1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H13NO6/c1-12(11(14)15)6-18-10(19-7-12)8-2-4-9(5-3-8)13(16)17/h2-5,10H,6-7H2,1H3,(H,14,15)/p-1