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

Systemtic Name: ethyl (6S)-6-(4-chloranyl-3-nitro-phenyl)-3-(2-methoxyethyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-6-(4-chloro-3-nitro-phenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-chloro-3-nitrophenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-(4-chloro-3-nitrophenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-chloro-3-nitro-phenyl)-2-keto-3-(2-methoxyethyl)-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H20ClN3O6 MolecularWeight: 397.8102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O6/c1-4-27-16(22)14-10(2)20(7-8-26-3)17(23)19-15(14)11-5-6-12(18)13(9-11)21(24)25/h5-6,9,15H,4,7-8H2,1-3H3,(H,19,23)/t15-/m0/s1