3-(2,2,4,6,7-pentamethyl-5-nitro-3H-1-benzofuran-3-yl)pyridine

Systemtic Name: 3-(2,2,4,6,7-pentamethyl-5-nitro-3H-1-benzofuran-3-yl)pyridine Openeye Name: 3-(2,2,4,6,7-pentamethyl-5-nitro-3H-benzofuran-3-yl)pyridine CAS Name: 3-(2,2,4,6,7-pentamethyl-5-nitro-3H-benzofuran-3-yl)pyridine IUPAC Name: 3-(2,2,4,6,7-pentamethyl-5-nitro-3H-1-benzofuran-3-yl)pyridine Traditional Name: 3-(2,2,4,6,7-pentamethyl-5-nitro-coumaran-3-yl)pyridine Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3/c1-10-11(2)17-14(12(3)16(10)20(21)22)15(18(4,5)23-17)13-7-6-8-19-9-13/h6-9,15H,1-5H3