(5-nitro-2,3-dihydro-1-benzofuran-3-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate

Systemtic Name: (5-nitro-2,3-dihydro-1-benzofuran-3-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate Openeye Name: (5-nitro-2,3-dihydrobenzofuran-3-yl) 2,2,3,3-tetramethylcyclopropanecarboxylate CAS Name: 2,2,3,3-tetramethyl-1-cyclopropanecarboxylic acid (5-nitro-2,3-dihydrobenzofuran-3-yl) ester IUPAC Name: (5-nitro-2,3-dihydro-1-benzofuran-3-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate Traditional Name: 2,2,3,3-tetramethylcyclopropanecarboxylic acid (5-nitrocoumaran-3-yl) ester Formula: C16H19NO5 MolecularWeight: 305.32576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1(C)C)C(=O)OC2COC3=C2C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(C1(C)C)C(=O)OC2COC3=C2C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H19NO5/c1-15(2)13(16(15,3)4)14(18)22-12-8-21-11-6-5-9(17(19)20)7-10(11)12/h5-7,12-13H,8H2,1-4H3