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

Systemtic Name: ethyl (6S)-6-(4-chloranyl-3-nitro-phenyl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C21H20ClN3O5 MolecularWeight: 429.8536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N[C@H]1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])CC3=CC=CC=C3)C

InChI

InChI=1S/C21H20ClN3O5/c1-3-30-20(26)18-13(2)24(12-14-7-5-4-6-8-14)21(27)23-19(18)15-9-10-16(22)17(11-15)25(28)29/h4-11,19H,3,12H2,1-2H3,(H,23,27)/t19-/m0/s1