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

Systemtic Name: ethyl (6S)-3-ethyl-4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-ethyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-ethyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-ethyl-2-keto-4-methyl-6-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCN1C(=C([C@@H](NC1=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C16H19N3O5/c1-4-18-10(3)13(15(20)24-5-2)14(17-16(18)21)11-7-6-8-12(9-11)19(22)23/h6-9,14H,4-5H2,1-3H3,(H,17,21)/t14-/m0/s1