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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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