(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-chloranyl-5-nitro-benzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-chloranyl-5-nitro-benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-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 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C14H8ClN3O5S MolecularWeight: 365.74842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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