(Z)-3-[3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-2-thiophen-2-yl-prop-2-enenitrile

Systemtic Name: (Z)-3-[3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-2-thiophen-2-yl-prop-2-enenitrile Openeye Name: (Z)-3-[3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-2-(2-thienyl)prop-2-enenitrile CAS Name: (Z)-3-[3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-2-thiophen-2-yl-2-propenenitrile IUPAC Name: (Z)-3-[3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-2-thiophen-2-ylprop-2-enenitrile Traditional Name: (Z)-3-[3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-2-(2-thienyl)acrylonitrile Formula: C21H13F3N2O4S MolecularWeight: 446.39913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=CS2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(/C#N)\C2=CC=CS2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H13F3N2O4S/c1-29-19-10-13(9-14(12-25)20-3-2-8-31-20)4-6-18(19)30-17-7-5-15(21(22,23)24)11-16(17)26(27)28/h2-11H,1H3/b14-9-