(5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-nitrobenzoate

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-nitrobenzoate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (5-ketothiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C14H9N3O5S MolecularWeight: 331.30336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC(=O)N3C=CSC3=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC(=O)N3C=CSC3=N2)[N+](=O)[O-]

InChI

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