N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-4-ethoxy-3-nitro-benzamide Formula: C22H16IN3O4S MolecularWeight: 545.34961

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C22H16IN3O4S/c1-2-30-19-10-7-13(11-18(19)26(28)29)21(27)24-16-9-8-14(23)12-15(16)22-25-17-5-3-4-6-20(17)31-22/h3-12H,2H2,1H3,(H,24,27)