N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-2-(4-nitrophenoxy)acetamide Formula: C21H14IN3O4S MolecularWeight: 531.32303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14IN3O4S/c22-13-5-10-17(16(11-13)21-24-18-3-1-2-4-19(18)30-21)23-20(26)12-29-15-8-6-14(7-9-15)25(27)28/h1-11H,12H2,(H,23,26)