(5S)-7-azaniumyl-6-cyano-5-(5-nitrofuran-2-yl)-4-oxidanylidene-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate

Systemtic Name: (5S)-7-azaniumyl-6-cyano-5-(5-nitrofuran-2-yl)-4-oxidanylidene-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate Openeye Name: (5S)-7-azaniumyl-6-cyano-5-(5-nitro-2-furyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate CAS Name: (5S)-7-ammonio-6-cyano-5-(5-nitro-2-furanyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate IUPAC Name: (5S)-7-azaniumyl-6-cyano-5-(5-nitrofuran-2-yl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate Traditional Name: (5S)-7-ammonio-6-cyano-4-keto-5-(5-nitro-2-furyl)-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate Formula: C12H7N5O6 MolecularWeight: 317.21388

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)[N+](=O)[O-])C2C(=C(OC3=C2C(=O)NC(=N3)[O-])[NH3+])C#N

Isomeric SMILES

C1=C(OC(=C1)[N+](=O)[O-])[C@H]2C(=C(OC3=C2C(=O)NC(=N3)[O-])[NH3+])C#N

InChI

InChI=1S/C12H7N5O6/c13-3-4-7(5-1-2-6(22-5)17(20)21)8-10(18)15-12(19)16-11(8)23-9(4)14/h1-2,7H,14H2,(H2,15,16,18,19)/t7-/m1/s1