tert-butyl 2-(3-nitrophenyl)-4-oxidanylidene-5-phenylmethoxy-1H-pyrimidine-6-carboxylate

Systemtic Name: tert-butyl 2-(3-nitrophenyl)-4-oxidanylidene-5-phenylmethoxy-1H-pyrimidine-6-carboxylate Openeye Name: tert-butyl 5-benzyloxy-2-(3-nitrophenyl)-4-oxo-1H-pyrimidine-6-carboxylate CAS Name: 2-(3-nitrophenyl)-4-oxo-5-phenylmethoxy-1H-pyrimidine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-nitrophenyl)-4-oxo-5-phenylmethoxy-1H-pyrimidine-6-carboxylate Traditional Name: 5-benzoxy-4-keto-2-(3-nitrophenyl)-1H-pyrimidine-6-carboxylic acid tert-butyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C(=O)N=C(N1)C2=CC(=CC=C2)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C(=O)N=C(N1)C2=CC(=CC=C2)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O6/c1-22(2,3)31-21(27)17-18(30-13-14-8-5-4-6-9-14)20(26)24-19(23-17)15-10-7-11-16(12-15)25(28)29/h4-12H,13H2,1-3H3,(H,23,24,26)