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

Systemtic Name: methyl (2Z)-2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate Openeye Name: methyl (2Z)-2-[[5-(3-nitrophenyl)-2-furyl]methylene]-3-oxo-benzofuran-5-carboxylate CAS Name: (2Z)-2-[[5-(3-nitrophenyl)-2-furanyl]methylidene]-3-oxo-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3-oxo-1-benzofuran-5-carboxylate Traditional Name: (2Z)-3-keto-2-[[5-(3-nitrophenyl)-2-furyl]methylene]coumaran-5-carboxylic acid methyl ester Formula: C21H13NO7 MolecularWeight: 391.33042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=CC3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C2=O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)O/C(=C\C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])/C2=O

InChI

InChI=1S/C21H13NO7/c1-27-21(24)13-5-7-18-16(10-13)20(23)19(29-18)11-15-6-8-17(28-15)12-3-2-4-14(9-12)22(25)26/h2-11H,1H3/b19-11-