(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-nitrothiophen-2-yl)methanone

Systemtic Name: (7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-nitrothiophen-2-yl)methanone Openeye Name: (7-tert-butyl-3,3-dimethyl-2H-benzofuran-5-yl)-(5-nitro-2-thienyl)methanone CAS Name: (7-tert-butyl-3,3-dimethyl-2H-benzofuran-5-yl)-(5-nitro-2-thiophenyl)methanone IUPAC Name: (7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-nitrothiophen-2-yl)methanone Traditional Name: (7-tert-butyl-3,3-dimethyl-coumaran-5-yl)-(5-nitro-2-thienyl)methanone Formula: C19H21NO4S MolecularWeight: 359.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C1C=C(C=C2C(C)(C)C)C(=O)C3=CC=C(S3)[N+](=O)[O-])C

Isomeric SMILES

CC1(COC2=C1C=C(C=C2C(C)(C)C)C(=O)C3=CC=C(S3)[N+](=O)[O-])C

InChI

InChI=1S/C19H21NO4S/c1-18(2,3)12-8-11(9-13-17(12)24-10-19(13,4)5)16(21)14-6-7-15(25-14)20(22)23/h6-9H,10H2,1-5H3