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

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 5-bromanylfuran-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic 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-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C19H17BrN2O6 MolecularWeight: 449.25208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O6/c1-25-8-7-22-18(23)13(11-21)9-12-3-4-14(16(10-12)26-2)28-19(24)15-5-6-17(20)27-15/h3-6,9-10H,7-8H2,1-2H3,(H,22,23)/b13-9+