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

Systemtic Name: [4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 5-bromanylfuran-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C18H14BrNO6 MolecularWeight: 420.21086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrNO6/c1-3-24-17(21)12(10-20)8-11-4-5-13(15(9-11)23-2)26-18(22)14-6-7-16(19)25-14/h4-9H,3H2,1-2H3/b12-8+