N-[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C26H22ClIN4O4 MolecularWeight: 616.83475

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)I)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)I)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H22ClIN4O4/c1-15-8-10-31(11-9-15)22-6-2-16(12-23(22)32(34)35)25(33)29-18-4-7-24-21(14-18)30-26(36-24)19-13-17(28)3-5-20(19)27/h2-7,12-15H,8-11H2,1H3,(H,29,33)