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

Systemtic Name: 2-methoxyethyl 6-bromanyl-2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate Openeye Name: 2-methoxyethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzofuran-3-carboxylate CAS Name: 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]-3-benzofurancarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C20H18BrNO7 MolecularWeight: 464.26342

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO7/c1-12-19(20(23)27-7-6-26-2)15-9-18(16(21)10-17(15)29-12)28-11-13-4-3-5-14(8-13)22(24)25/h3-5,8-10H,6-7,11H2,1-2H3