[5-[[(3-nitrophenyl)amino]methyl]-1-benzothiophen-2-yl]boronic acid

Systemtic Name: [5-[[(3-nitrophenyl)amino]methyl]-1-benzothiophen-2-yl]boronic acid Openeye Name: [5-[(3-nitroanilino)methyl]benzothiophen-2-yl]boronic acid CAS Name: [5-[(3-nitroanilino)methyl]-1-benzothiophen-2-yl]boronic acid IUPAC Name: [5-[(3-nitroanilino)methyl]-1-benzothiophen-2-yl]boronic acid Traditional Name: [5-[(3-nitroanilino)methyl]benzothiophen-2-yl]boronic acid Formula: C15H13BN2O4S MolecularWeight: 328.15072

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC2=C(S1)C=CC(=C2)CNC3=CC(=CC=C3)[N+](=O)[O-])(O)O

Isomeric SMILES

B(C1=CC2=C(S1)C=CC(=C2)CNC3=CC(=CC=C3)[N+](=O)[O-])(O)O

InChI

InChI=1S/C15H13BN2O4S/c19-16(20)15-7-11-6-10(4-5-14(11)23-15)9-17-12-2-1-3-13(8-12)18(21)22/h1-8,17,19-20H,9H2