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

Systemtic Name: disodium 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxidanylidene-4H-imidazol-2-olate heptahydrate Openeye Name: disodium 3-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-5-oxo-4H-imidazol-2-olate heptahydrate CAS Name: disodium 3-[(E)-[5-(4-nitrophenyl)-2-furanyl]methylideneamino]-5-oxo-4H-imidazol-2-olate heptahydrate IUPAC Name: disodium 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxo-4H-imidazol-2-olate heptahydrate Traditional Name: disodium 4-keto-1-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-2-imidazolin-2-olate heptahydrate Formula: C28H32N8Na2O17 MolecularWeight: 798.57662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1N(C(=NC1=O)[O-])/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-].C1N(C(=NC1=O)[O-])/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-].O.O.O.O.O.O.O.[Na+].[Na+]

InChI

InChI=1S/2C14H10N4O5.2Na.7H2O/c2*19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;;;;;;;;;/h2*1-7H,8H2,(H,16,19,20);;;7*1H2/q;;2*+1;;;;;;;/p-2/b2*15-7+;;;;;;;;;