7-[(2-methoxy-5-nitro-phenoxy)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[(2-methoxy-5-nitro-phenoxy)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(2-methoxy-5-nitro-phenoxy)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[(2-methoxy-5-nitrophenoxy)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(2-methoxy-5-nitrophenoxy)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[(2-methoxy-5-nitro-phenoxy)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C14H12N3O5S+ MolecularWeight: 334.32718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC2=CC(=O)[N+]3=C(N2)SC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC2=CC(=O)[N+]3=C(N2)SC=C3

InChI

InChI=1S/C14H11N3O5S/c1-21-11-3-2-10(17(19)20)7-12(11)22-8-9-6-13(18)16-4-5-23-14(16)15-9/h2-7H,8H2,1H3/p+1