[4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 5-bromanyl-1-benzofuran-2-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 5-bromanyl-1-benzofuran-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 5-bromobenzofuran-2-carboxylate CAS Name: 5-bromo-2-benzofurancarboxylic acid [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 5-bromo-1-benzofuran-2-carboxylate Traditional Name: 5-bromocoumarilic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H19BrN2O6 MolecularWeight: 499.31076

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC3=C(O2)C=CC(=C3)Br)OC)C#N

Isomeric SMILES

COCCNC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)C2=CC3=C(O2)C=CC(=C3)Br)OC)/C#N

InChI

InChI=1S/C23H19BrN2O6/c1-29-8-7-26-22(27)16(13-25)9-14-3-5-19(20(10-14)30-2)32-23(28)21-12-15-11-17(24)4-6-18(15)31-21/h3-6,9-12H,7-8H2,1-2H3,(H,26,27)/b16-9+