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

Systemtic Name: 2-methoxyethyl (6S)-6-(4-chloranyl-3-nitro-phenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6S)-6-(4-chloro-3-nitro-phenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-chloro-3-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6S)-6-(4-chloro-3-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-chloro-3-nitro-phenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C16H18ClN3O6 MolecularWeight: 383.78362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1C)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C16H18ClN3O6/c1-9-13(15(21)26-7-6-25-3)14(18-16(22)19(9)2)10-4-5-11(17)12(8-10)20(23)24/h4-5,8,14H,6-7H2,1-3H3,(H,18,22)/t14-/m0/s1