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

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid Openeye Name: 5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid CAS Name: 5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid IUPAC Name: 5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid Traditional Name: 5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid Formula: C12H13NO6 MolecularWeight: 267.23472

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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)