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

Systemtic Name: methyl (2Z)-2-[[3-(3-chloranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate Openeye Name: methyl (2Z)-2-[[3-(3-chloro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-oxo-benzofuran-5-carboxylate CAS Name: (2Z)-2-[[3-(3-chloro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-oxo-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-1-benzofuran-5-carboxylate Traditional Name: (2Z)-2-[[3-(3-chloro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-keto-coumaran-5-carboxylic acid methyl ester Formula: C27H19ClN2O5 MolecularWeight: 486.90316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=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)Cl

InChI

InChI=1S/C27H19ClN2O5/c1-33-23-11-8-16(13-21(23)28)25-18(15-30(29-25)19-6-4-3-5-7-19)14-24-26(31)20-12-17(27(32)34-2)9-10-22(20)35-24/h3-15H,1-2H3/b24-14-