2-(2-nitro-3-phenyl-1-benzofuran-5-yl)-2-oxidanyl-ethanenitrile

Systemtic Name: 2-(2-nitro-3-phenyl-1-benzofuran-5-yl)-2-oxidanyl-ethanenitrile Openeye Name: 2-hydroxy-2-(2-nitro-3-phenyl-benzofuran-5-yl)acetonitrile CAS Name: 2-hydroxy-2-(2-nitro-3-phenyl-5-benzofuranyl)acetonitrile IUPAC Name: 2-hydroxy-2-(2-nitro-3-phenyl-1-benzofuran-5-yl)acetonitrile Traditional Name: 2-hydroxy-2-(2-nitro-3-phenyl-benzofuran-5-yl)acetonitrile Formula: C16H10N2O4 MolecularWeight: 294.2616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)C(C#N)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)C(C#N)O)[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O4/c17-9-13(19)11-6-7-14-12(8-11)15(16(22-14)18(20)21)10-4-2-1-3-5-10/h1-8,13,19H