[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H15BrN2O4 MolecularWeight: 427.2481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H15BrN2O4/c1-11-16-9-14(21)5-8-17(16)27-18(11)20(25)26-12(2)19(24)23-15-6-3-13(10-22)4-7-15/h3-9,12H,1-2H3,(H,23,24)/t12-/m1/s1