[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C16H12BrNO4 MolecularWeight: 362.17478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C16H12BrNO4/c1-9-11-7-10(17)4-5-14(11)22-15(9)16(20)21-8-13(19)12-3-2-6-18-12/h2-7,18H,8H2,1H3