N-(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)ethanamide Openeye Name: N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)acetamide CAS Name: N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)acetamide IUPAC Name: N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)acetamide Traditional Name: N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)acetamide Formula: C16H12ClN3O4S MolecularWeight: 377.80218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN3O4S/c1-9-6-14-13(7-12(9)17)18-16(25-14)19-15(21)8-24-11-4-2-10(3-5-11)20(22)23/h2-7H,8H2,1H3,(H,18,19,21)