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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-4-methyl-3-nitro-benzamide Formula: C21H14IN3O3S MolecularWeight: 515.32363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=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/C21H14IN3O3S/c1-12-6-7-13(10-18(12)25(27)28)20(26)23-16-9-8-14(22)11-15(16)21-24-17-4-2-3-5-19(17)29-21/h2-11H,1H3,(H,23,26)