[3-nitro-5-(phenylcarbamoyl)phenyl]boronic acid

Systemtic Name: [3-nitro-5-(phenylcarbamoyl)phenyl]boronic acid Openeye Name: [3-nitro-5-(phenylcarbamoyl)phenyl]boronic acid CAS Name: [3-[anilino(oxo)methyl]-5-nitrophenyl]boronic acid IUPAC Name: [3-nitro-5-(phenylcarbamoyl)phenyl]boronic acid Traditional Name: [3-nitro-5-(phenylcarbamoyl)phenyl]boronic acid Formula: C13H11BN2O5 MolecularWeight: 286.04784

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2)(O)O

Isomeric SMILES

B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2)(O)O

InChI

InChI=1S/C13H11BN2O5/c17-13(15-11-4-2-1-3-5-11)9-6-10(14(18)19)8-12(7-9)16(20)21/h1-8,18-19H,(H,15,17)