N-[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-5-nitro-2-piperidino-benzamide Formula: C25H20ClIN4O4 MolecularWeight: 602.80817

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)I)Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)I)Cl

InChI

InChI=1S/C25H20ClIN4O4/c26-20-7-4-15(27)12-18(20)25-29-21-13-16(5-9-23(21)35-25)28-24(32)19-14-17(31(33)34)6-8-22(19)30-10-2-1-3-11-30/h4-9,12-14H,1-3,10-11H2,(H,28,32)