sodium 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxidanylidene-4H-imidazol-2-olate dihydrate

Systemtic Name: sodium 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxidanylidene-4H-imidazol-2-olate dihydrate Openeye Name: sodium 3-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-5-oxo-4H-imidazol-2-olate dihydrate CAS Name: sodium 3-[(E)-[5-(4-nitrophenyl)-2-furanyl]methylideneamino]-5-oxo-4H-imidazol-2-olate dihydrate IUPAC Name: sodium 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxo-4H-imidazol-2-olate dihydrate Traditional Name: sodium 4-keto-1-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-2-imidazolin-2-olate dihydrate Formula: C14H13N4NaO7 MolecularWeight: 372.26539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N4O5.Na.2H2O/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;;;/h1-7H,8H2,(H,16,19,20);;2*1H2/q;+1;;/p-1/b15-7+;;;