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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-chloranyl-2-nitro-benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-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-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C14H8ClN3O5S MolecularWeight: 365.74842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C14H8ClN3O5S/c15-7-1-2-8(10(5-7)18(21)22)14(20)23-6-11-16-9-3-4-24-12(9)13(19)17-11/h1-5H,6H2,(H,16,17,19)