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

Systemtic Name: 3-cyanopropyl 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: 3-cyanopropyl 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid 3-cyanopropyl ester Formula: C14H12ClNO3 MolecularWeight: 277.70298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClNO3/c1-9-11-8-10(15)4-5-12(11)19-13(9)14(17)18-7-3-2-6-16/h4-5,8H,2-3,7H2,1H3