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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-2-chloro-4-nitro-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-2-chloro-4-nitro-benzamide Formula: C20H11ClIN3O3S MolecularWeight: 535.74211

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H11ClIN3O3S/c21-15-10-12(25(27)28)6-7-13(15)19(26)23-16-8-5-11(22)9-14(16)20-24-17-3-1-2-4-18(17)29-20/h1-10H,(H,23,26)