ethyl 3-methyl-6-(5-nitro-2-oxidanyl-phenyl)-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-methyl-6-(5-nitro-2-oxidanyl-phenyl)-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(2-hydroxy-5-nitro-phenyl)-3-methyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-hydroxy-5-nitrophenyl)-3-methyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-hydroxy-5-nitrophenyl)-3-methyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-hydroxy-5-nitro-phenyl)-2-keto-3-methyl-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=CC(=C2)[N+](=O)[O-])O)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=CC(=C2)[N+](=O)[O-])O)C)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O6/c1-3-29-19(25)16-17(14-11-13(23(27)28)9-10-15(14)24)21-20(26)22(2)18(16)12-7-5-4-6-8-12/h4-11,17,24H,3H2,1-2H3,(H,21,26)