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

Systemtic Name: methyl 5-(2,2-dimethylpropanoyloxy)-2-(3-nitrothiophen-2-yl)-4-oxidanylidene-1H-pyrimidine-6-carboxylate Openeye Name: methyl 5-(2,2-dimethylpropanoyloxy)-2-(3-nitro-2-thienyl)-4-oxo-1H-pyrimidine-6-carboxylate CAS Name: 5-(2,2-dimethyl-1-oxopropoxy)-2-(3-nitro-2-thiophenyl)-4-oxo-1H-pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-(2,2-dimethylpropanoyloxy)-2-(3-nitrothiophen-2-yl)-4-oxo-1H-pyrimidine-6-carboxylate Traditional Name: 4-keto-2-(3-nitro-2-thienyl)-5-pivaloyloxy-1H-pyrimidine-6-carboxylic acid methyl ester Formula: C15H15N3O7S MolecularWeight: 381.3605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(NC(=NC1=O)C2=C(C=CS2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(NC(=NC1=O)C2=C(C=CS2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H15N3O7S/c1-15(2,3)14(21)25-9-8(13(20)24-4)16-11(17-12(9)19)10-7(18(22)23)5-6-26-10/h5-6H,1-4H3,(H,16,17,19)