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

Systemtic Name: methyl (2Z)-2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate Openeye Name: methyl (2Z)-2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-oxo-benzofuran-5-carboxylate CAS Name: (2Z)-2-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-oxo-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-1-benzofuran-5-carboxylate Traditional Name: (2Z)-3-keto-2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]coumaran-5-carboxylic acid methyl ester Formula: C27H20N2O5 MolecularWeight: 452.4581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

COC1=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

InChI

InChI=1S/C27H20N2O5/c1-32-21-11-8-17(9-12-21)25-19(16-29(28-25)20-6-4-3-5-7-20)15-24-26(30)22-14-18(27(31)33-2)10-13-23(22)34-24/h3-16H,1-2H3/b24-15-