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

Systemtic Name: ethyl (6S)-6-(4-chloranyl-3-nitro-phenyl)-3-(4-methoxyphenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-6-(4-chloro-3-nitro-phenyl)-3-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-chloro-3-nitrophenyl)-3-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-(4-chloro-3-nitrophenyl)-3-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-chloro-3-nitro-phenyl)-2-keto-3-(4-methoxyphenyl)-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H20ClN3O6 MolecularWeight: 445.853

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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-])C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N[C@H]1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H20ClN3O6/c1-4-31-20(26)18-12(2)24(14-6-8-15(30-3)9-7-14)21(27)23-19(18)13-5-10-16(22)17(11-13)25(28)29/h5-11,19H,4H2,1-3H3,(H,23,27)/t19-/m0/s1