(2E)-2-[(5-nitrofuran-2-yl)methylidene]-3-oxidanyl-butanedinitrile

Systemtic Name: (2E)-2-[(5-nitrofuran-2-yl)methylidene]-3-oxidanyl-butanedinitrile Openeye Name: (3E)-2-hydroxy-3-[(5-nitro-2-furyl)methylene]butanedinitrile CAS Name: (3E)-2-hydroxy-3-[(5-nitro-2-furanyl)methylidene]butanedinitrile IUPAC Name: (3E)-2-hydroxy-3-[(5-nitrofuran-2-yl)methylidene]butanedinitrile Traditional Name: (3E)-2-hydroxy-3-[(5-nitro-2-furyl)methylene]succinonitrile Formula: C9H5N3O4 MolecularWeight: 219.1537

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)[N+](=O)[O-])C=C(C#N)C(C#N)O

Isomeric SMILES

C1=C(OC(=C1)[N+](=O)[O-])/C=C(\C#N)/C(C#N)O

InChI

InChI=1S/C9H5N3O4/c10-4-6(8(13)5-11)3-7-1-2-9(16-7)12(14)15/h1-3,8,13H/b6-3+