(2,2-dimethyl-3H-1-benzofuran-7-yl) 5-bromanylpyridine-3-carboxylate

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 5-bromanylpyridine-3-carboxylate Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl) 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C16H14BrNO3 MolecularWeight: 348.19126

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OC(=O)C3=CC(=CN=C3)Br)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OC(=O)C3=CC(=CN=C3)Br)C

InChI

InChI=1S/C16H14BrNO3/c1-16(2)7-10-4-3-5-13(14(10)21-16)20-15(19)11-6-12(17)9-18-8-11/h3-6,8-9H,7H2,1-2H3