dimethyl-[(E)-2-(3-nitro-5-oxidanyl-1-benzofuran-2-yl)ethenyl]azanium

Systemtic Name: dimethyl-[(E)-2-(3-nitro-5-oxidanyl-1-benzofuran-2-yl)ethenyl]azanium Openeye Name: [(E)-2-(5-hydroxy-3-nitro-benzofuran-2-yl)vinyl]-dimethyl-ammonium CAS Name: [(E)-2-(5-hydroxy-3-nitro-2-benzofuranyl)ethenyl]-dimethylammonium IUPAC Name: [(E)-2-(5-hydroxy-3-nitro-1-benzofuran-2-yl)ethenyl]-dimethylazanium Traditional Name: [(E)-2-(5-hydroxy-3-nitro-benzofuran-2-yl)vinyl]-dimethyl-ammonium Formula: C12H13N2O4+ MolecularWeight: 249.24262

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C=CC1=C(C2=C(O1)C=CC(=C2)O)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)/C=C/C1=C(C2=C(O1)C=CC(=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O4/c1-13(2)6-5-11-12(14(16)17)9-7-8(15)3-4-10(9)18-11/h3-7,15H,1-2H3/p+1/b6-5+