methyl 5-(2,2-dimethylpropanoyloxy)-2-(3-nitrothiophen-2-yl)-6-prop-2-enoxy-pyrimidine-4-carboxylate

Systemtic Name: methyl 5-(2,2-dimethylpropanoyloxy)-2-(3-nitrothiophen-2-yl)-6-prop-2-enoxy-pyrimidine-4-carboxylate Openeye Name: methyl 6-allyloxy-5-(2,2-dimethylpropanoyloxy)-2-(3-nitro-2-thienyl)pyrimidine-4-carboxylate CAS Name: 5-(2,2-dimethyl-1-oxopropoxy)-2-(3-nitro-2-thiophenyl)-6-prop-2-enoxy-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-(2,2-dimethylpropanoyloxy)-2-(3-nitrothiophen-2-yl)-6-prop-2-enoxypyrimidine-4-carboxylate Traditional Name: 6-allyloxy-2-(3-nitro-2-thienyl)-5-pivaloyloxy-pyrimidine-4-carboxylic acid methyl ester Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(N=C(N=C1OCC=C)C2=C(C=CS2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(N=C(N=C1OCC=C)C2=C(C=CS2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H19N3O7S/c1-6-8-27-15-12(28-17(23)18(2,3)4)11(16(22)26-5)19-14(20-15)13-10(21(24)25)7-9-29-13/h6-7,9H,1,8H2,2-5H3