(4-cyanophenyl) 5-chloranyl-3,6-dimethyl-1-benzofuran-2-carboxylate

Systemtic Name: (4-cyanophenyl) 5-chloranyl-3,6-dimethyl-1-benzofuran-2-carboxylate Openeye Name: (4-cyanophenyl) 5-chloro-3,6-dimethyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3,6-dimethyl-2-benzofurancarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 5-chloro-3,6-dimethyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3,6-dimethyl-coumarilic acid (4-cyanophenyl) ester Formula: C18H12ClNO3 MolecularWeight: 325.74578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(OC2=C1)C(=O)OC3=CC=C(C=C3)C#N)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C(OC2=C1)C(=O)OC3=CC=C(C=C3)C#N)C)Cl

InChI

InChI=1S/C18H12ClNO3/c1-10-7-16-14(8-15(10)19)11(2)17(23-16)18(21)22-13-5-3-12(9-20)4-6-13/h3-8H,1-2H3