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

Systemtic Name: [(E)-2-(5-acetyloxy-3-nitro-1-benzofuran-2-yl)ethenyl]-dimethyl-azanium Openeye Name: [(E)-2-(5-acetoxy-3-nitro-benzofuran-2-yl)vinyl]-dimethyl-ammonium CAS Name: [(E)-2-(5-acetyloxy-3-nitro-2-benzofuranyl)ethenyl]-dimethylammonium IUPAC Name: [(E)-2-(5-acetyloxy-3-nitro-1-benzofuran-2-yl)ethenyl]-dimethylazanium Traditional Name: [(E)-2-(5-acetoxy-3-nitro-benzofuran-2-yl)vinyl]-dimethyl-ammonium Formula: C14H15N2O5+ MolecularWeight: 291.2793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)OC(=C2[N+](=O)[O-])C=C[NH+](C)C

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)OC(=C2[N+](=O)[O-])/C=C/[NH+](C)C

InChI

InChI=1S/C14H14N2O5/c1-9(17)20-10-4-5-12-11(8-10)14(16(18)19)13(21-12)6-7-15(2)3/h4-8H,1-3H3/p+1/b7-6+