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

Systemtic Name: methyl 5-(2,2-dimethylpropanoyloxy)-2-(3-nitrothiophen-2-yl)-6-phenylmethoxy-pyrimidine-4-carboxylate Openeye Name: methyl 6-benzyloxy-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-phenylmethoxy-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-(2,2-dimethylpropanoyloxy)-2-(3-nitrothiophen-2-yl)-6-phenylmethoxypyrimidine-4-carboxylate Traditional Name: 6-benzoxy-2-(3-nitro-2-thienyl)-5-pivaloyloxy-pyrimidine-4-carboxylic acid methyl ester Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(N=C(N=C1OCC2=CC=CC=C2)C3=C(C=CS3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(N=C(N=C1OCC2=CC=CC=C2)C3=C(C=CS3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H21N3O7S/c1-22(2,3)21(27)32-16-15(20(26)30-4)23-18(17-14(25(28)29)10-11-33-17)24-19(16)31-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3