2-(2-nitro-3-phenyl-1-benzofuran-7-yl)-2-oxidanyl-ethanenitrile

Systemtic Name: 2-(2-nitro-3-phenyl-1-benzofuran-7-yl)-2-oxidanyl-ethanenitrile Openeye Name: 2-hydroxy-2-(2-nitro-3-phenyl-benzofuran-7-yl)acetonitrile CAS Name: 2-hydroxy-2-(2-nitro-3-phenyl-7-benzofuranyl)acetonitrile IUPAC Name: 2-hydroxy-2-(2-nitro-3-phenyl-1-benzofuran-7-yl)acetonitrile Traditional Name: 2-hydroxy-2-(2-nitro-3-phenyl-benzofuran-7-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=CC=C3C(C#N)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC3=C2C=CC=C3C(C#N)O)[N+](=O)[O-]

InChI

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