(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-nitrobenzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-nitrobenzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C14H9N3O5S MolecularWeight: 331.30336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O5S/c18-13-12-10(5-6-23-12)15-11(16-13)7-22-14(19)8-1-3-9(4-2-8)17(20)21/h1-6H,7H2,(H,15,16,18)