(8S)-6-azanyl-7-cyano-8-(3-nitrophenyl)-4-oxidanylidene-1,8-dihydropyrano[3,2-d]pyrimidin-2-olate

Systemtic Name: (8S)-6-azanyl-7-cyano-8-(3-nitrophenyl)-4-oxidanylidene-1,8-dihydropyrano[3,2-d]pyrimidin-2-olate Openeye Name: (8S)-6-amino-7-cyano-8-(3-nitrophenyl)-4-oxo-1,8-dihydropyrano[3,2-d]pyrimidin-2-olate CAS Name: (8S)-6-amino-7-cyano-8-(3-nitrophenyl)-4-oxo-1,8-dihydropyrano[3,2-d]pyrimidin-2-olate IUPAC Name: (8S)-6-amino-7-cyano-8-(3-nitrophenyl)-4-oxo-1,8-dihydropyrano[3,2-d]pyrimidin-2-olate Traditional Name: (8S)-6-amino-7-cyano-4-keto-8-(3-nitrophenyl)-1,8-dihydropyrano[3,2-d]pyrimidin-2-olate Formula: C14H8N5O5- MolecularWeight: 326.24382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(OC3=C2NC(=NC3=O)[O-])N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])[C@H]2C(=C(OC3=C2NC(=NC3=O)[O-])N)C#N

InChI

InChI=1S/C14H9N5O5/c15-5-8-9(6-2-1-3-7(4-6)19(22)23)10-11(24-12(8)16)13(20)18-14(21)17-10/h1-4,9H,16H2,(H2,17,18,20,21)/p-1/t9-/m0/s1