methyl 6-bromanyl-2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate

Systemtic Name: methyl 6-bromanyl-2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate Openeye Name: methyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzofuran-3-carboxylate CAS Name: 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-2-methyl-5-(3-nitrobenzyl)oxy-benzofuran-3-carboxylic acid methyl ester Formula: C18H14BrNO6 MolecularWeight: 420.21086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)Br)OCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)Br)OCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H14BrNO6/c1-10-17(18(21)24-2)13-7-16(14(19)8-15(13)26-10)25-9-11-4-3-5-12(6-11)20(22)23/h3-8H,9H2,1-2H3