2-cyano-3-(3-nitrophenyl)-N-[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]prop-2-enamide

Systemtic Name: 2-cyano-3-(3-nitrophenyl)-N-[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]prop-2-enamide Openeye Name: 2-cyano-3-(3-nitrophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide CAS Name: 2-cyano-3-(3-nitrophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-propenamide IUPAC Name: 2-cyano-3-(3-nitrophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide Traditional Name: 2-cyano-3-(3-nitrophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acrylamide Formula: C18H9F3N4O4S MolecularWeight: 434.34867

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C#N)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C#N)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H9F3N4O4S/c19-18(20,21)29-13-4-5-14-15(8-13)30-17(23-14)24-16(26)11(9-22)6-10-2-1-3-12(7-10)25(27)28/h1-8H,(H,23,24,26)