5-nitro-6-oxidanylidene-2-[(E)-2-(5-phenylfuran-2-yl)ethenyl]-1H-pyrimidin-4-olate

Systemtic Name: 5-nitro-6-oxidanylidene-2-[(E)-2-(5-phenylfuran-2-yl)ethenyl]-1H-pyrimidin-4-olate Openeye Name: 5-nitro-6-oxo-2-[(E)-2-(5-phenyl-2-furyl)vinyl]-1H-pyrimidin-4-olate CAS Name: 5-nitro-6-oxo-2-[(E)-2-(5-phenyl-2-furanyl)ethenyl]-1H-pyrimidin-4-olate IUPAC Name: 5-nitro-6-oxo-2-[(E)-2-(5-phenylfuran-2-yl)ethenyl]-1H-pyrimidin-4-olate Traditional Name: 6-keto-5-nitro-2-[(E)-2-(5-phenyl-2-furyl)vinyl]-1H-pyrimidin-4-olate Formula: C16H10N3O5- MolecularWeight: 324.2677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(O2)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(O2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H11N3O5/c20-15-14(19(22)23)16(21)18-13(17-15)9-7-11-6-8-12(24-11)10-4-2-1-3-5-10/h1-9H,(H2,17,18,20,21)/p-1/b9-7+