methyl (2Z)-3-oxidanylidene-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-5-carboxylate

Systemtic Name: methyl (2Z)-3-oxidanylidene-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-5-carboxylate Openeye Name: methyl (2Z)-3-oxo-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylene]benzofuran-5-carboxylate CAS Name: (2Z)-3-oxo-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)-4-pyrazolyl]methylidene]-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2Z)-3-oxo-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-5-carboxylate Traditional Name: (2Z)-3-keto-2-[(3-mesityl-1-phenyl-pyrazol-4-yl)methylene]coumaran-5-carboxylic acid methyl ester Formula: C29H24N2O4 MolecularWeight: 464.51186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24N2O4/c1-17-12-18(2)26(19(3)13-17)27-21(16-31(30-27)22-8-6-5-7-9-22)15-25-28(32)23-14-20(29(33)34-4)10-11-24(23)35-25/h5-16H,1-4H3/b25-15-