[(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid [(1R)-2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H17ClN2O5 MolecularWeight: 412.82308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OC(C)C(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)O[C@H](C)C(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H17ClN2O5/c1-11-16-9-15(27-3)6-7-18(16)29-19(11)21(26)28-12(2)20(25)24-14-5-4-13(10-23)17(22)8-14/h4-9,12H,1-3H3,(H,24,25)/t12-/m1/s1