2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)butanoic acid

Systemtic Name: 2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)butanoic acid Openeye Name: 2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)butanoic acid CAS Name: 2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)butanoic acid IUPAC Name: 2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)butanoic acid Traditional Name: 2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)butyric acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)C1(OC2=C(O1)C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)O)C1(OC2=C(O1)C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C12H13NO6/c1-3-8(11(14)15)12(2)18-9-5-4-7(13(16)17)6-10(9)19-12/h4-6,8H,3H2,1-2H3,(H,14,15)