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

Systemtic Name: methyl 6-bromanyl-2-methyl-5-(3-nitrophenyl)carbonyloxy-1-benzofuran-3-carboxylate Openeye Name: methyl 6-bromo-2-methyl-5-(3-nitrobenzoyl)oxy-benzofuran-3-carboxylate CAS Name: 6-bromo-2-methyl-5-[(3-nitrophenyl)-oxomethoxy]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H12BrNO7 MolecularWeight: 434.19438

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrNO7/c1-9-16(18(22)25-2)12-7-15(13(19)8-14(12)26-9)27-17(21)10-4-3-5-11(6-10)20(23)24/h3-8H,1-2H3