4-[(E)-2-cyano-3-oxidanylidene-3-[[3-(trifluoromethyl)phenyl]amino]prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-[[3-(trifluoromethyl)phenyl]amino]prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-[3-(trifluoromethyl)anilino]prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C18H11F3N3O5- MolecularWeight: 406.29225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C#N)C(=O)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H12F3N3O5/c1-29-15-7-10(6-14(16(15)25)24(27)28)5-11(9-22)17(26)23-13-4-2-3-12(8-13)18(19,20)21/h2-8,25H,1H3,(H,23,26)/p-1/b11-5+