ethyl (4S)-6-[(2-chloranyl-4-nitro-phenoxy)methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[(2-chloranyl-4-nitro-phenoxy)methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(2-chloro-4-nitro-phenoxy)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(2-chloro-4-nitrophenoxy)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(2-chloro-4-nitrophenoxy)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(2-chloro-4-nitro-phenoxy)methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18ClN3O6 MolecularWeight: 383.78362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OCC

InChI

InChI=1S/C16H18ClN3O6/c1-3-11-14(15(21)25-4-2)12(19-16(22)18-11)8-26-13-6-5-9(20(23)24)7-10(13)17/h5-7,11H,3-4,8H2,1-2H3,(H2,18,19,22)/t11-/m0/s1