ethyl 4-[2-(4-boranylphenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[2-(4-boranylphenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-acetyl-2-(4-boranylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 4-[3-acetyl-2-(4-boryl phenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-acetyl-2-(4-boranylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 4-[3-acetyl-2-(4-boryl phenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C21H20BNO5 MolecularWeight: 377.1982

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Descriptors Computed from Structure

Canonical SMILES:

BC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=C(C=C3)C(=O)OCC)O)C(=O)C

Isomeric SMILES

BC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=C(C=C3)C(=O)OCC)O)C(=O)C

InChI

InChI=1S/C21H20BNO5/c1-3-28-21(27)14-6-10-16(11-7-14)23-18(13-4-8-15(22)9-5-13)17(12(2)24)19(25)20(23)26/h4-11,18,25H,3,22H2,1-2H3