4-[(Z)-[1-(4-chlorophenyl)-5-oxidanylidene-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]-2-ethoxy-6-nitro-phenolate

Systemtic Name: 4-[(Z)-[1-(4-chlorophenyl)-5-oxidanylidene-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-[1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(Z)-[1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)-4-pyrazolylidene]methyl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-[1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(Z)-[1-(4-chlorophenyl)-5-keto-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]methyl]-2-ethoxy-6-nitro-phenolate Formula: C19H12ClF3N3O5- MolecularWeight: 454.76389

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C19H13ClF3N3O5/c1-2-31-15-9-10(8-14(16(15)27)26(29)30)7-13-17(19(21,22)23)24-25(18(13)28)12-5-3-11(20)4-6-12/h3-9,27H,2H2,1H3/p-1/b13-7-