(3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-methyl-2-nitro-benzoate

Systemtic Name: (3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-methyl-2-nitro-benzoate Openeye Name: (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester IUPAC Name: (3-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C16H14N3O5S+ MolecularWeight: 360.36446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3C

InChI

InChI=1S/C16H13N3O5S/c1-9-4-3-5-12(14(9)19(22)23)15(21)24-7-11-6-13(20)18-10(2)8-25-16(18)17-11/h3-6,8H,7H2,1-2H3/p+1