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

Systemtic Name: methyl 5-(2,2-dimethylpropanoyloxy)-2-(3-nitrothiophen-2-yl)-6-oxidanylidene-1-(phenylmethyl)pyrimidine-4-carboxylate Openeye Name: methyl 1-benzyl-5-(2,2-dimethylpropanoyloxy)-2-(3-nitro-2-thienyl)-6-oxo-pyrimidine-4-carboxylate CAS Name: 5-(2,2-dimethyl-1-oxopropoxy)-2-(3-nitro-2-thiophenyl)-6-oxo-1-(phenylmethyl)-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-5-(2,2-dimethylpropanoyloxy)-2-(3-nitrothiophen-2-yl)-6-oxopyrimidine-4-carboxylate Traditional Name: 1-benzyl-6-keto-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(C1=O)CC2=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(C1=O)CC2=CC=CC=C2)C3=C(C=CS3)[N+](=O)[O-])C(=O)OC

InChI

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