methyl 5-(2,2-dimethylpropanoyloxy)-1-methyl-2-(3-nitrothiophen-2-yl)-6-oxidanylidene-pyrimidine-4-carboxylate

Systemtic Name: methyl 5-(2,2-dimethylpropanoyloxy)-1-methyl-2-(3-nitrothiophen-2-yl)-6-oxidanylidene-pyrimidine-4-carboxylate Openeye Name: methyl 5-(2,2-dimethylpropanoyloxy)-1-methyl-2-(3-nitro-2-thienyl)-6-oxo-pyrimidine-4-carboxylate CAS Name: 5-(2,2-dimethyl-1-oxopropoxy)-1-methyl-2-(3-nitro-2-thiophenyl)-6-oxo-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-(2,2-dimethylpropanoyloxy)-1-methyl-2-(3-nitrothiophen-2-yl)-6-oxopyrimidine-4-carboxylate Traditional Name: 6-keto-1-methyl-2-(3-nitro-2-thienyl)-5-pivaloyloxy-pyrimidine-4-carboxylic acid methyl ester Formula: C16H17N3O7S MolecularWeight: 395.38708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(N=C(N(C1=O)C)C2=C(C=CS2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(N=C(N(C1=O)C)C2=C(C=CS2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H17N3O7S/c1-16(2,3)15(22)26-10-9(14(21)25-5)17-12(18(4)13(10)20)11-8(19(23)24)6-7-27-11/h6-7H,1-5H3