2-tert-butyl-2-methyl-6-nitro-1,3-benzodioxole-4-carboxylic acid

Systemtic Name: 2-tert-butyl-2-methyl-6-nitro-1,3-benzodioxole-4-carboxylic acid Openeye Name: 2-tert-butyl-2-methyl-6-nitro-1,3-benzodioxole-4-carboxylic acid CAS Name: 2-tert-butyl-2-methyl-6-nitro-1,3-benzodioxole-4-carboxylic acid IUPAC Name: 2-tert-butyl-2-methyl-6-nitro-1,3-benzodioxole-4-carboxylic acid Traditional Name: 2-tert-butyl-2-methyl-6-nitro-1,3-benzodioxole-4-carboxylic acid Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(O1)C(=CC(=C2)[N+](=O)[O-])C(=O)O)C(C)(C)C

Isomeric SMILES

CC1(OC2=C(O1)C(=CC(=C2)[N+](=O)[O-])C(=O)O)C(C)(C)C

InChI

InChI=1S/C13H15NO6/c1-12(2,3)13(4)19-9-6-7(14(17)18)5-8(11(15)16)10(9)20-13/h5-6H,1-4H3,(H,15,16)