[4-nitro-3-(prop-2-enoylamino)phenyl]boronic acid

Systemtic Name: [4-nitro-3-(prop-2-enoylamino)phenyl]boronic acid Openeye Name: [4-nitro-3-(prop-2-enoylamino)phenyl]boronic acid CAS Name: [4-nitro-3-(1-oxoprop-2-enylamino)phenyl]boronic acid IUPAC Name: [4-nitro-3-(prop-2-enoylamino)phenyl]boronic acid Traditional Name: (3-acrylamido-4-nitro-phenyl)boronic acid Formula: C9H9BN2O5 MolecularWeight: 235.98916

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)C=C)(O)O

Isomeric SMILES

B(C1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)C=C)(O)O

InChI

InChI=1S/C9H9BN2O5/c1-2-9(13)11-7-5-6(10(14)15)3-4-8(7)12(16)17/h2-5,14-15H,1H2,(H,11,13)