ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-(cyanomethyl)-3-methyl-benzofuran-2-carboxylate CAS Name: 5-(cyanomethyl)-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-(cyanomethyl)-3-methyl-coumarilic acid ethyl ester Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)CC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)CC#N)C

InChI

InChI=1S/C14H13NO3/c1-3-17-14(16)13-9(2)11-8-10(6-7-15)4-5-12(11)18-13/h4-5,8H,3,6H2,1-2H3