2-[cyanomethyl-[[2-[(3-nitrophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-[[2-[(3-nitrophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[[6-hydroxy-2-[(3-nitrophenyl)methylene]-3-oxo-benzofuran-7-yl]methyl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[[6-hydroxy-2-[(3-nitrophenyl)methylidene]-3-oxo-7-benzofuranyl]methyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[[6-hydroxy-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[[6-hydroxy-3-keto-2-(3-nitrobenzylidene)coumaran-7-yl]methyl]amino]acetonitrile Formula: C20H14N4O5 MolecularWeight: 390.34896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN(CC#N)CC#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN(CC#N)CC#N

InChI

InChI=1S/C20H14N4O5/c21-6-8-23(9-7-22)12-16-17(25)5-4-15-19(26)18(29-20(15)16)11-13-2-1-3-14(10-13)24(27)28/h1-5,10-11,25H,8-9,12H2