methyl (2Z)-2-[[3-(3-fluoranyl-4-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate

Systemtic Name: methyl (2Z)-2-[[3-(3-fluoranyl-4-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate Openeye Name: methyl (2Z)-2-[[3-(3-fluoro-4-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-oxo-benzofuran-5-carboxylate CAS Name: (2Z)-2-[[3-(3-fluoro-4-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-oxo-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-1-benzofuran-5-carboxylate Traditional Name: (2Z)-2-[[3-(3-fluoro-4-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-keto-coumaran-5-carboxylic acid methyl ester Formula: C27H19FN2O4 MolecularWeight: 454.449163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5)F

InChI

InChI=1S/C27H19FN2O4/c1-16-8-9-17(13-22(16)28)25-19(15-30(29-25)20-6-4-3-5-7-20)14-24-26(31)21-12-18(27(32)33-2)10-11-23(21)34-24/h3-15H,1-2H3/b24-14-