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

Systemtic Name: ethyl (6S)-3-methyl-6-(3-nitrophenyl)-2-oxidanylidene-4-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-methyl-6-(3-nitrophenyl)-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-methyl-6-(3-nitrophenyl)-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-methyl-6-(3-nitrophenyl)-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-2-keto-3-methyl-6-(3-nitrophenyl)-4-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=O)N1C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC1=C([C@@H](NC(=O)N1C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C17H21N3O5/c1-4-7-13-14(16(21)25-5-2)15(18-17(22)19(13)3)11-8-6-9-12(10-11)20(23)24/h6,8-10,15H,4-5,7H2,1-3H3,(H,18,22)/t15-/m0/s1