4-[(Z)-[1-(3-chloranyl-4-fluoranyl-phenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-ethoxy-6-nitro-phenolate

Systemtic Name: 4-[(Z)-[1-(3-chloranyl-4-fluoranyl-phenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-[1-(3-chloro-4-fluoro-phenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(Z)-[1-(3-chloro-4-fluorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-[1-(3-chloro-4-fluorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(Z)-[1-(3-chloro-4-fluoro-phenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-ethoxy-6-nitro-phenolate Formula: C19H14ClFN3O5- MolecularWeight: 418.782963

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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)F)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClFN3O5/c1-3-29-17-8-11(7-16(18(17)25)24(27)28)6-13-10(2)22-23(19(13)26)12-4-5-15(21)14(20)9-12/h4-9,25H,3H2,1-2H3/p-1/b13-6-