2,2,4,5,6-pentamethyl-7-nitro-3H-1-benzofuran

Systemtic Name: 2,2,4,5,6-pentamethyl-7-nitro-3H-1-benzofuran Openeye Name: 2,2,4,5,6-pentamethyl-7-nitro-3H-benzofuran CAS Name: 2,2,4,5,6-pentamethyl-7-nitro-3H-benzofuran IUPAC Name: 2,2,4,5,6-pentamethyl-7-nitro-3H-1-benzofuran Traditional Name: 2,2,4,5,6-pentamethyl-7-nitro-coumaran Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1C)CC(O2)(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=C2C(=C1C)CC(O2)(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C13H17NO3/c1-7-8(2)10-6-13(4,5)17-12(10)11(9(7)3)14(15)16/h6H2,1-5H3