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

Systemtic Name: N-[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitro-benzamide Formula: C21H13ClIN3O4 MolecularWeight: 533.70309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClIN3O4/c1-11-2-3-12(8-18(11)26(28)29)20(27)24-14-5-7-19-17(10-14)25-21(30-19)15-9-13(23)4-6-16(15)22/h2-10H,1H3,(H,24,27)