(2-bromanyl-4-cyano-6-ethoxy-phenyl) 5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 5-chloro-2,3-dihydrobenzofuran-2-carboxylate CAS Name: 5-chloro-2,3-dihydrobenzofuran-2-carboxylic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumaran-2-carboxylic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C18H13BrClNO4 MolecularWeight: 422.65712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2CC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2CC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C18H13BrClNO4/c1-2-23-15-6-10(9-21)5-13(19)17(15)25-18(22)16-8-11-7-12(20)3-4-14(11)24-16/h3-7,16H,2,8H2,1H3