3-chloranyl-N-[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-7-nitro-benzothiophene-2-carboxamide Formula: C22H11ClIN3O4S MolecularWeight: 575.76291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC(=C1)I)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H11ClIN3O4S/c23-18-14-5-2-6-16(27(29)30)19(14)32-20(18)21(28)25-13-7-8-17-15(10-13)26-22(31-17)11-3-1-4-12(24)9-11/h1-10H,(H,25,28)