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

Systemtic Name: methyl (2Z)-2-[[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate Openeye Name: methyl (2Z)-2-[[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-oxo-benzofuran-5-carboxylate CAS Name: (2Z)-2-[[3-(4-ethoxy-2-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-oxo-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-[[3-(4-ethoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-1-benzofuran-5-carboxylate Traditional Name: (2Z)-2-[[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-keto-coumaran-5-carboxylic acid methyl ester Formula: C29H24N2O5 MolecularWeight: 480.51126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5)C

Isomeric SMILES

CCOC1=CC(=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)C

InChI

InChI=1S/C29H24N2O5/c1-4-35-22-11-12-23(18(2)14-22)27-20(17-31(30-27)21-8-6-5-7-9-21)16-26-28(32)24-15-19(29(33)34-3)10-13-25(24)36-26/h5-17H,4H2,1-3H3/b26-16-