N-[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-5-nitro-2-pyrrolidino-benzamide Formula: C24H19IN4O4 MolecularWeight: 554.33653

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CC=C5)I

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CC=C5)I

InChI

InChI=1S/C24H19IN4O4/c25-16-5-3-4-15(12-16)24-27-20-13-17(6-9-22(20)33-24)26-23(30)19-14-18(29(31)32)7-8-21(19)28-10-1-2-11-28/h3-9,12-14H,1-2,10-11H2,(H,26,30)