benzamide; (E)-3-[4-(dihydroxyboranyl)phenyl]prop-2-enoic acid

Systemtic Name: benzamide; (E)-3-[4-(dihydroxyboranyl)phenyl]prop-2-enoic acid Openeye Name: benzamide; (E)-3-(4-boronophenyl)prop-2-enoic acid CAS Name: benzamide; (E)-3-(4-boronophenyl)-2-propenoic acid IUPAC Name: benzamide; (E)-3-(4-boronophenyl)prop-2-enoic acid Traditional Name: benzamide; (E)-3-(4-boronophenyl)acrylic acid Formula: C16H16BNO5 MolecularWeight: 313.11294

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)C=CC(=O)O)(O)O.C1=CC=C(C=C1)C(=O)N

Isomeric SMILES

B(C1=CC=C(C=C1)/C=C/C(=O)O)(O)O.C1=CC=C(C=C1)C(=O)N

InChI

InChI=1S/C9H9BO4.C7H7NO/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14;8-7(9)6-4-2-1-3-5-6/h1-6,13-14H,(H,11,12);1-5H,(H2,8,9)/b6-3+;