4-[(E)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-2-[4-(4-fluorophenyl)thiazol-2-yl]vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-2-[4-(4-fluorophenyl)-2-thiazolyl]ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-2-[4-(4-fluorophenyl)thiazol-2-yl]vinyl]-2-methoxy-6-nitro-phenolate Formula: C19H11FN3O4S- MolecularWeight: 396.371743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12FN3O4S/c1-27-17-8-11(7-16(18(17)24)23(25)26)6-13(9-21)19-22-15(10-28-19)12-2-4-14(20)5-3-12/h2-8,10,24H,1H3/p-1/b13-6+