4-[(4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate

Systemtic Name: 4-[(4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: 4-[(4E)-4-[[5-(2-fluorophenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-4-[[5-(2-fluorophenyl)-2-furanyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoate IUPAC Name: 4-[(4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-4-[[5-(2-fluorophenyl)-2-furyl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoate Formula: C22H14FN2O4- MolecularWeight: 389.355963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=CC=C3F)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)C3=CC=CC=C3F)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H15FN2O4/c1-13-18(12-16-10-11-20(29-16)17-4-2-3-5-19(17)23)21(26)25(24-13)15-8-6-14(7-9-15)22(27)28/h2-12H,1H3,(H,27,28)/p-1/b18-12+