1-methylpyridin-1-ium; 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxidanylidene-4H-imidazol-2-olate

Systemtic Name: 1-methylpyridin-1-ium; 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxidanylidene-4H-imidazol-2-olate Openeye Name: 1-methylpyridin-1-ium; 3-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-5-oxo-4H-imidazol-2-olate CAS Name: 1-methylpyridin-1-ium; 3-[(E)-[5-(4-nitrophenyl)-2-furanyl]methylideneamino]-5-oxo-4H-imidazol-2-olate IUPAC Name: 1-methylpyridin-1-ium; 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxo-4H-imidazol-2-olate Traditional Name: 4-keto-1-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-2-imidazolin-2-olate; 1-methylpyridin-1-ium Formula: C20H17N5O5 MolecularWeight: 407.37948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1.C1C(=O)N=C(N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1.C1C(=O)N=C(N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H10N4O5.C6H8N/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;1-7-5-3-2-4-6-7/h1-7H,8H2,(H,16,19,20);2-6H,1H3/q;+1/p-1/b15-7+;