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

Systemtic Name: 2-(2-bromanyl-4-methyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(2-bromo-4-methyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(2-bromo-4-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(2-bromo-4-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(2-bromo-4-methyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C16H12BrN3O4S MolecularWeight: 422.25318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H12BrN3O4S/c1-9-2-5-13(11(17)6-9)24-8-15(21)19-16-18-12-4-3-10(20(22)23)7-14(12)25-16/h2-7H,8H2,1H3,(H,18,19,21)