[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C19H13BrN2O4 MolecularWeight: 413.22152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C19H13BrN2O4/c1-11-14-8-13(20)6-7-16(14)26-18(11)19(24)25-10-17(23)22-15-5-3-2-4-12(15)9-21/h2-8H,10H2,1H3,(H,22,23)