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

Systemtic Name: propan-2-yl (4S)-3-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl (4S)-3-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: (4S)-3-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S)-3-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-methyl-3-methylol-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)CO)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C([C@@H](N(C(=O)N1)CO)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C16H19N3O6/c1-9(2)25-15(21)13-10(3)17-16(22)18(8-20)14(13)11-5-4-6-12(7-11)19(23)24/h4-7,9,14,20H,8H2,1-3H3,(H,17,22)/t14-/m0/s1