methyl 2-tert-butyl-2-methyl-5-nitro-1,3-benzodioxole-4-carboxylate

Systemtic Name: methyl 2-tert-butyl-2-methyl-5-nitro-1,3-benzodioxole-4-carboxylate Openeye Name: methyl 2-tert-butyl-2-methyl-5-nitro-1,3-benzodioxole-4-carboxylate CAS Name: 2-tert-butyl-2-methyl-5-nitro-1,3-benzodioxole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-tert-butyl-2-methyl-5-nitro-1,3-benzodioxole-4-carboxylate Traditional Name: 2-tert-butyl-2-methyl-5-nitro-1,3-benzodioxole-4-carboxylic acid methyl ester Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6/c1-13(2,3)14(4)20-9-7-6-8(15(17)18)10(11(9)21-14)12(16)19-5/h6-7H,1-5H3