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

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C17H14ClN3O5S MolecularWeight: 407.82816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H14ClN3O5S/c1-9-5-10(18)3-4-12(9)26-8-15(22)19-17-20-16-13(25-2)6-11(21(23)24)7-14(16)27-17/h3-7H,8H2,1-2H3,(H,19,20,22)