2-bromanyl-3,4,5-trimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 2-bromanyl-3,4,5-trimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-bromo-3,4,5-trimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-bromo-3,4,5-trimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 2-bromo-3,4,5-trimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-bromo-3,4,5-trimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C17H14BrN3O6S MolecularWeight: 468.27856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Br)OC)OC

InChI

InChI=1S/C17H14BrN3O6S/c1-25-11-7-9(13(18)15(27-3)14(11)26-2)16(22)20-17-19-10-5-4-8(21(23)24)6-12(10)28-17/h4-7H,1-3H3,(H,19,20,22)