1-cyanoethyl 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: 1-cyanoethyl 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: 1-cyanoethyl 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid 1-cyanoethyl ester Formula: C13H10ClNO3 MolecularWeight: 263.6764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OC(C)C#N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OC(C)C#N

InChI

InChI=1S/C13H10ClNO3/c1-7(6-15)17-13(16)12-8(2)10-5-9(14)3-4-11(10)18-12/h3-5,7H,1-2H3