[4-[3-ethanoyl-1-(4-ethoxycarbonylphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]phenyl]boron

Systemtic Name: [4-[3-ethanoyl-1-(4-ethoxycarbonylphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]phenyl]boron Openeye Name: [4-[3-acetyl-1-(4-ethoxycarbonylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenyl]boron CAS Name: [4-[3-acetyl-1-(4-ethoxycarbonylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenyl]boron IUPAC Name: [4-[3-acetyl-1-(4-ethoxycarbonylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenyl]boron Traditional Name: [4-[3-acetyl-1-(4-carbethoxyphenyl)-4-hydroxy-5-keto-3-pyrrolin-2-yl]phenyl]boron Formula: C21H18BNO5 MolecularWeight: 375.18232

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Descriptors Computed from Structure

Canonical SMILES:

[B]C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=C(C=C3)C(=O)OCC)O)C(=O)C

Isomeric SMILES

[B]C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=C(C=C3)C(=O)OCC)O)C(=O)C

InChI

InChI=1S/C21H18BNO5/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,3H2,1-2H3