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

Systemtic Name: [(E)-2-[5-(3-cyanopyridin-2-yl)oxy-3-nitro-1-benzofuran-2-yl]ethenyl]-dimethyl-azanium Openeye Name: [(E)-2-[5-[(3-cyano-2-pyridyl)oxy]-3-nitro-benzofuran-2-yl]vinyl]-dimethyl-ammonium CAS Name: [(E)-2-[5-[(3-cyano-2-pyridinyl)oxy]-3-nitro-2-benzofuranyl]ethenyl]-dimethylammonium IUPAC Name: [(E)-2-[5-(3-cyanopyridin-2-yl)oxy-3-nitro-1-benzofuran-2-yl]ethenyl]-dimethylazanium Traditional Name: [(E)-2-[5-[(3-cyano-2-pyridyl)oxy]-3-nitro-benzofuran-2-yl]vinyl]-dimethyl-ammonium Formula: C18H15N4O4+ MolecularWeight: 351.3361

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C=CC1=C(C2=C(O1)C=CC(=C2)OC3=C(C=CC=N3)C#N)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)/C=C/C1=C(C2=C(O1)C=CC(=C2)OC3=C(C=CC=N3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O4/c1-21(2)9-7-16-17(22(23)24)14-10-13(5-6-15(14)26-16)25-18-12(11-19)4-3-8-20-18/h3-10H,1-2H3/p+1/b9-7+