4-[(6S)-6-(4-chloranyl-3-nitro-phenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoate

Systemtic Name: 4-[(6S)-6-(4-chloranyl-3-nitro-phenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoate Openeye Name: 4-[(6S)-6-(4-chloro-3-nitro-phenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoate CAS Name: 4-[(6S)-6-(4-chloro-3-nitrophenyl)-5-[2-methoxyethoxy(oxo)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoate IUPAC Name: 4-[(6S)-6-(4-chloro-3-nitrophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoate Traditional Name: 4-[(6S)-6-(4-chloro-3-nitro-phenyl)-2-keto-5-(2-methoxyethoxycarbonyl)-4-methyl-1,6-dihydropyrimidin-3-yl]benzoate Formula: C22H19ClN3O8- MolecularWeight: 488.85456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C2=CC=C(C=C2)C(=O)[O-])C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1C2=CC=C(C=C2)C(=O)[O-])C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C22H20ClN3O8/c1-12-18(21(29)34-10-9-33-2)19(14-5-8-16(23)17(11-14)26(31)32)24-22(30)25(12)15-6-3-13(4-7-15)20(27)28/h3-8,11,19H,9-10H2,1-2H3,(H,24,30)(H,27,28)/p-1/t19-/m0/s1