N-[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitro-benzamide Formula: C21H14IN3O5 MolecularWeight: 515.25743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)I)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)I)[N+](=O)[O-]

InChI

InChI=1S/C21H14IN3O5/c1-29-19-7-5-12(10-17(19)25(27)28)20(26)23-15-6-8-18-16(11-15)24-21(30-18)13-3-2-4-14(22)9-13/h2-11H,1H3,(H,23,26)