N-(1,3-benzothiazol-2-ylmethyl)-2-(2-chloranyl-4-nitro-phenoxy)-N-methyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(2-chloranyl-4-nitro-phenoxy)-N-methyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(2-chloro-4-nitro-phenoxy)-N-methyl-acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(2-chloro-4-nitrophenoxy)-N-methylacetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(2-chloro-4-nitrophenoxy)-N-methylacetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(2-chloro-4-nitro-phenoxy)-N-methyl-acetamide Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN3O4S/c1-20(9-16-19-13-4-2-3-5-15(13)26-16)17(22)10-25-14-7-6-11(21(23)24)8-12(14)18/h2-8H,9-10H2,1H3