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

Systemtic Name: 2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C17H14BrN3O4S MolecularWeight: 436.27976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C)Br

InChI

InChI=1S/C17H14BrN3O4S/c1-9-5-11(18)6-10(2)16(9)25-8-15(22)20-17-19-13-4-3-12(21(23)24)7-14(13)26-17/h3-7H,8H2,1-2H3,(H,19,20,22)