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

Systemtic Name: methyl (2Z)-2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate Openeye Name: methyl (2Z)-2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-oxo-benzofuran-5-carboxylate CAS Name: (2Z)-2-[[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-oxo-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-1-benzofuran-5-carboxylate Traditional Name: (2Z)-3-keto-2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]coumaran-5-carboxylic acid methyl ester Formula: C26H17N3O6 MolecularWeight: 467.42968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=CC3=CN(N=C3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)C2=O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)O/C(=C\C3=CN(N=C3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)/C2=O

InChI

InChI=1S/C26H17N3O6/c1-34-26(31)17-10-11-22-21(13-17)25(30)23(35-22)14-18-15-28(19-7-3-2-4-8-19)27-24(18)16-6-5-9-20(12-16)29(32)33/h2-15H,1H3/b23-14-