[4-[(E)-3-oxidanylidene-3-(1H-pyrrol-2-yl)prop-1-enyl]phenyl]boronic acid

Systemtic Name: [4-[(E)-3-oxidanylidene-3-(1H-pyrrol-2-yl)prop-1-enyl]phenyl]boronic acid Openeye Name: [4-[(E)-3-oxo-3-(1H-pyrrol-2-yl)prop-1-enyl]phenyl]boronic acid CAS Name: [4-[(E)-3-oxo-3-(1H-pyrrol-2-yl)prop-1-enyl]phenyl]boronic acid IUPAC Name: [4-[(E)-3-oxo-3-(1H-pyrrol-2-yl)prop-1-enyl]phenyl]boronic acid Traditional Name: [4-[(E)-3-keto-3-(1H-pyrrol-2-yl)prop-1-enyl]phenyl]boronic acid Formula: C13H12BNO3 MolecularWeight: 241.05028

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)C=CC(=O)C2=CC=CN2)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CN2)(O)O

InChI

InChI=1S/C13H12BNO3/c16-13(12-2-1-9-15-12)8-5-10-3-6-11(7-4-10)14(17)18/h1-9,15,17-18H/b8-5+