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

Systemtic Name: [4-[(E)-3-oxidanylidene-3-(1H-pyrrol-2-yl)prop-1-enyl]phenoxy]methylboronic acid Openeye Name: [4-[(E)-3-oxo-3-(1H-pyrrol-2-yl)prop-1-enyl]phenoxy]methylboronic acid CAS Name: [4-[(E)-3-oxo-3-(1H-pyrrol-2-yl)prop-1-enyl]phenoxy]methylboronic acid IUPAC Name: [4-[(E)-3-oxo-3-(1H-pyrrol-2-yl)prop-1-enyl]phenoxy]methylboronic acid Traditional Name: [4-[(E)-3-keto-3-(1H-pyrrol-2-yl)prop-1-enyl]phenoxy]methylboronic acid Formula: C14H14BNO4 MolecularWeight: 271.07626

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Descriptors Computed from Structure

Canonical SMILES:

B(COC1=CC=C(C=C1)C=CC(=O)C2=CC=CN2)(O)O

Isomeric SMILES

B(COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CN2)(O)O

InChI

InChI=1S/C14H14BNO4/c17-14(13-2-1-9-16-13)8-5-11-3-6-12(7-4-11)20-10-15(18)19/h1-9,16,18-19H,10H2/b8-5+