2-(2-bromanyl-4-phenyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(2-bromanyl-4-phenyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(2-bromo-4-phenyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(2-bromo-4-phenylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(2-bromo-4-phenylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(2-bromo-4-phenyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C21H14BrN3O4S MolecularWeight: 484.32256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C=C2)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C=C2)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C21H14BrN3O4S/c22-16-10-14(13-4-2-1-3-5-13)6-9-18(16)29-12-20(26)24-21-23-17-8-7-15(25(27)28)11-19(17)30-21/h1-11H,12H2,(H,23,24,26)