[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C21H17ClN2O4 MolecularWeight: 396.82368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN2O4/c1-13-16-11-15(22)7-8-18(16)28-20(13)21(26)27-12-19(25)24-10-9-17(23-24)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3