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

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 5-bromanyl-1-benzofuran-2-carboxylate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 5-bromobenzofuran-2-carboxylate CAS Name: 5-bromo-2-benzofurancarboxylic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 5-bromo-1-benzofuran-2-carboxylate Traditional Name: 5-bromocoumarilic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H13BrN2O5 MolecularWeight: 441.23162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OC(=O)C2=CC3=C(O2)C=CC(=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N)OC(=O)C2=CC3=C(O2)C=CC(=C3)Br

InChI

InChI=1S/C20H13BrN2O5/c1-26-17-7-11(6-13(10-22)19(23)24)2-4-16(17)28-20(25)18-9-12-8-14(21)3-5-15(12)27-18/h2-9H,1H3,(H2,23,24)/b13-6+