2-methoxyethyl (6S)-6-(4-chloranyl-3-nitro-phenyl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl (6S)-6-(4-chloranyl-3-nitro-phenyl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6S)-3-benzyl-6-(4-chloro-3-nitro-phenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-chloro-3-nitrophenyl)-4-methyl-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6S)-3-benzyl-6-(4-chloro-3-nitrophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-benzyl-6-(4-chloro-3-nitro-phenyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C22H22ClN3O6 MolecularWeight: 459.87958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1CC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C22H22ClN3O6/c1-14-19(21(27)32-11-10-31-2)20(16-8-9-17(23)18(12-16)26(29)30)24-22(28)25(14)13-15-6-4-3-5-7-15/h3-9,12,20H,10-11,13H2,1-2H3,(H,24,28)/t20-/m0/s1