[3-[(4-nitrophenyl)carbamoylamino]phenyl]boronic acid

Systemtic Name: [3-[(4-nitrophenyl)carbamoylamino]phenyl]boronic acid Openeye Name: [3-[(4-nitrophenyl)carbamoylamino]phenyl]boronic acid CAS Name: [3-[[(4-nitroanilino)-oxomethyl]amino]phenyl]boronic acid IUPAC Name: [3-[(4-nitrophenyl)carbamoylamino]phenyl]boronic acid Traditional Name: [3-[(4-nitrophenyl)carbamoylamino]phenyl]boronic acid Formula: C13H12BN3O5 MolecularWeight: 301.06248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BN3O5/c18-13(15-10-4-6-12(7-5-10)17(21)22)16-11-3-1-2-9(8-11)14(19)20/h1-8,19-20H,(H2,15,16,18)