ethyl 3-(2,2-dimethylpropanoyloxymethyl)-1,6-dimethyl-4-(3-nitrophenyl)-2-oxidanylidene-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 3-(2,2-dimethylpropanoyloxymethyl)-1,6-dimethyl-4-(3-nitrophenyl)-2-oxidanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 3-(2,2-dimethylpropanoyloxymethyl)-1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-4H-pyrimidine-5-carboxylate CAS Name: 3-[(2,2-dimethyl-1-oxopropoxy)methyl]-1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2,2-dimethylpropanoyloxymethyl)-1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-4H-pyrimidine-5-carboxylate Traditional Name: 2-keto-1,6-dimethyl-4-(3-nitrophenyl)-3-(pivaloyloxymethyl)-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])COC(=O)C(C)(C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])COC(=O)C(C)(C)C)C)C

InChI

InChI=1S/C21H27N3O7/c1-7-30-18(25)16-13(2)22(6)20(27)23(12-31-19(26)21(3,4)5)17(16)14-9-8-10-15(11-14)24(28)29/h8-11,17H,7,12H2,1-6H3