ethyl 6-bromanyl-2-tert-butyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-tert-butyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-2-tert-butyl-5-[(3-nitrophenyl)methoxy]benzofuran-3-carboxylate CAS Name: 6-bromo-2-tert-butyl-5-[(3-nitrophenyl)methoxy]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-tert-butyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-2-tert-butyl-5-(3-nitrobenzyl)oxy-benzofuran-3-carboxylic acid ethyl ester Formula: C22H22BrNO6 MolecularWeight: 476.31718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC(=CC=C3)[N+](=O)[O-])Br)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC(=CC=C3)[N+](=O)[O-])Br)C(C)(C)C

InChI

InChI=1S/C22H22BrNO6/c1-5-28-21(25)19-15-10-18(16(23)11-17(15)30-20(19)22(2,3)4)29-12-13-7-6-8-14(9-13)24(26)27/h6-11H,5,12H2,1-4H3