1-[2-[2-(3-chloranylpropoxy)-5-nitro-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone

Systemtic Name: 1-[2-[2-(3-chloranylpropoxy)-5-nitro-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Openeye Name: 1-[2-[2-(3-chloropropoxy)-5-nitro-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone CAS Name: 1-[2-[2-(3-chloropropoxy)-5-nitrophenyl]-2H-1,3-benzothiazol-3-yl]ethanone IUPAC Name: 1-[2-[2-(3-chloropropoxy)-5-nitrophenyl]-2H-1,3-benzothiazol-3-yl]ethanone Traditional Name: 1-[2-[2-(3-chloropropoxy)-5-nitro-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC2=CC=CC=C21)C3=C(C=CC(=C3)[N+](=O)[O-])OCCCCl

Isomeric SMILES

CC(=O)N1C(SC2=CC=CC=C21)C3=C(C=CC(=C3)[N+](=O)[O-])OCCCCl

InChI

InChI=1S/C18H17ClN2O4S/c1-12(22)20-15-5-2-3-6-17(15)26-18(20)14-11-13(21(23)24)7-8-16(14)25-10-4-9-19/h2-3,5-8,11,18H,4,9-10H2,1H3