propan-2-yl 6-bromanyl-2-methyl-5-(3-nitrophenyl)carbonyloxy-1-benzofuran-3-carboxylate

Systemtic Name: propan-2-yl 6-bromanyl-2-methyl-5-(3-nitrophenyl)carbonyloxy-1-benzofuran-3-carboxylate Openeye Name: isopropyl 6-bromo-2-methyl-5-(3-nitrobenzoyl)oxy-benzofuran-3-carboxylate CAS Name: 6-bromo-2-methyl-5-[(3-nitrophenyl)-oxomethoxy]-3-benzofurancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-bromo-2-methyl-5-(3-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-2-methyl-5-(3-nitrobenzoyl)oxy-benzofuran-3-carboxylic acid isopropyl ester Formula: C20H16BrNO7 MolecularWeight: 462.24754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)Br)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)Br)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C20H16BrNO7/c1-10(2)27-20(24)18-11(3)28-16-9-15(21)17(8-14(16)18)29-19(23)12-5-4-6-13(7-12)22(25)26/h4-10H,1-3H3