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

Systemtic Name: 2-methoxyethyl (6S)-6-(4-chloranyl-3-nitro-phenyl)-3-(2-methoxyethyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (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 2-methoxyethyl ester Formula: C18H22ClN3O7 MolecularWeight: 427.83618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCOC)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1CCOC)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C18H22ClN3O7/c1-11-15(17(23)29-9-8-28-3)16(20-18(24)21(11)6-7-27-2)12-4-5-13(19)14(10-12)22(25)26/h4-5,10,16H,6-9H2,1-3H3,(H,20,24)/t16-/m0/s1