ethyl (6R)-3-(2-hydroxyethyl)-4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6R)-3-(2-hydroxyethyl)-4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-3-(2-hydroxyethyl)-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(2-hydroxyethyl)-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-3-(2-hydroxyethyl)-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(2-hydroxyethyl)-2-keto-4-methyl-6-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N[C@@H]1C2=CC(=CC=C2)[N+](=O)[O-])CCO)C

InChI

InChI=1S/C16H19N3O6/c1-3-25-15(21)13-10(2)18(7-8-20)16(22)17-14(13)11-5-4-6-12(9-11)19(23)24/h4-6,9,14,20H,3,7-8H2,1-2H3,(H,17,22)/t14-/m1/s1