(4-nitrophenyl)methyl hydrogen carbonate; 1H-pyrimidine-2-thione

Systemtic Name: (4-nitrophenyl)methyl hydrogen carbonate; 1H-pyrimidine-2-thione Openeye Name: (4-nitrophenyl)methyl hydrogen carbonate; 1H-pyrimidine-2-thione CAS Name: carbonic acid (4-nitrophenyl)methyl ester; 1H-pyrimidine-2-thione IUPAC Name: (4-nitrophenyl)methyl hydrogen carbonate; 1H-pyrimidine-2-thione Traditional Name: carbonic acid (4-nitrobenzyl) ester; 1H-pyrimidine-2-thione Formula: C12H11N3O5S MolecularWeight: 309.29784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=S)N=C1.C1=CC(=CC=C1COC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CNC(=S)N=C1.C1=CC(=CC=C1COC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H7NO5.C4H4N2S/c10-8(11)14-5-6-1-3-7(4-2-6)9(12)13;7-4-5-2-1-3-6-4/h1-4H,5H2,(H,10,11);1-3H,(H,5,6,7)