methyl 6-chloranyl-7-methyl-5-(2-methylidenebutanoyl)-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: methyl 6-chloranyl-7-methyl-5-(2-methylidenebutanoyl)-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: methyl 6-chloro-7-methyl-5-(2-methylenebutanoyl)-2,3-dihydrobenzofuran-2-carboxylate CAS Name: 6-chloro-7-methyl-5-(2-methylene-1-oxobutyl)-2,3-dihydrobenzofuran-2-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-7-methyl-5-(2-methylidenebutanoyl)-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: 6-chloro-5-(2-ethylacryloyl)-7-methyl-coumaran-2-carboxylic acid methyl ester Formula: C16H17ClO4 MolecularWeight: 308.75678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C(=O)C1=CC2=C(C(=C1Cl)C)OC(C2)C(=O)OC

Isomeric SMILES

CCC(=C)C(=O)C1=CC2=C(C(=C1Cl)C)OC(C2)C(=O)OC

InChI

InChI=1S/C16H17ClO4/c1-5-8(2)14(18)11-6-10-7-12(16(19)20-4)21-15(10)9(3)13(11)17/h6,12H,2,5,7H2,1,3-4H3