sodium 6-(4-nitrophenyl)-4-oxidanylidene-3H-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: sodium 6-(4-nitrophenyl)-4-oxidanylidene-3H-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: sodium 6-(4-nitrophenyl)-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: sodium 6-(4-nitrophenyl)-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate IUPAC Name: sodium 6-(4-nitrophenyl)-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate Traditional Name: sodium 4-keto-6-(4-nitrophenyl)-3H-furo[2,3-d]pyrimidine-5-carboxylate Formula: C13H6N3NaO6 MolecularWeight: 323.19301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C3=C(O2)N=CNC3=O)C(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2=C(C3=C(O2)N=CNC3=O)C(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C13H7N3O6.Na/c17-11-9-8(13(18)19)10(22-12(9)15-5-14-11)6-1-3-7(4-2-6)16(20)21;/h1-5H,(H,18,19)(H,14,15,17);/q;+1/p-1