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

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-nitrobenzoate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 3-nitrobenzoate CAS Name: 3-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 3-nitrobenzoate Traditional Name: 3-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(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC(=O)N3C=CSC3=N2

Isomeric SMILES

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

InChI

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