2,2,4,6,7-pentamethyl-5-nitro-3-(4-propan-2-ylphenyl)-3H-1-benzofuran

Systemtic Name: 2,2,4,6,7-pentamethyl-5-nitro-3-(4-propan-2-ylphenyl)-3H-1-benzofuran Openeye Name: 3-(4-isopropylphenyl)-2,2,4,6,7-pentamethyl-5-nitro-3H-benzofuran CAS Name: 2,2,4,6,7-pentamethyl-5-nitro-3-(4-propan-2-ylphenyl)-3H-benzofuran IUPAC Name: 2,2,4,6,7-pentamethyl-5-nitro-3-(4-propan-2-ylphenyl)-3H-1-benzofuran Traditional Name: 2,2,4,6,7-pentamethyl-5-nitro-3-p-cumenyl-coumaran Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(C(OC2=C1C)(C)C)C3=CC=C(C=C3)C(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C2C(C(OC2=C1C)(C)C)C3=CC=C(C=C3)C(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27NO3/c1-12(2)16-8-10-17(11-9-16)19-18-15(5)20(23(24)25)13(3)14(4)21(18)26-22(19,6)7/h8-12,19H,1-7H3