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

Systemtic Name: (4-nitrophenyl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (4-nitrobenzyl) ester Formula: C17H12BrNO5 MolecularWeight: 390.18488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrNO5/c1-10-14-8-12(18)4-7-15(14)24-16(10)17(20)23-9-11-2-5-13(6-3-11)19(21)22/h2-8H,9H2,1H3