ethyl 4-bromanyl-5-(3,5-dinitrophenyl)carbonyloxy-2-methanoyl-7-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4-bromanyl-5-(3,5-dinitrophenyl)carbonyloxy-2-methanoyl-7-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-bromo-5-(3,5-dinitrobenzoyl)oxy-2-formyl-7-methyl-benzofuran-3-carboxylate CAS Name: 4-bromo-5-[(3,5-dinitrophenyl)-oxomethoxy]-2-formyl-7-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-5-(3,5-dinitrobenzoyl)oxy-2-formyl-7-methyl-1-benzofuran-3-carboxylate Traditional Name: 4-bromo-5-(3,5-dinitrobenzoyl)oxy-2-formyl-7-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C20H13BrN2O10 MolecularWeight: 521.22862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Br)C=O

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Br)C=O

InChI

InChI=1S/C20H13BrN2O10/c1-3-31-20(26)15-14(8-24)32-18-9(2)4-13(17(21)16(15)18)33-19(25)10-5-11(22(27)28)7-12(6-10)23(29)30/h4-8H,3H2,1-2H3