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

Systemtic Name: ethyl (4S)-6-[(2-chloranyl-4-nitro-phenyl)carbonyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(2-chloro-4-nitro-benzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(2-chloro-4-nitrophenyl)-oxomethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(2-chloro-4-nitrobenzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(2-chloro-4-nitro-benzoyl)oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18ClN3O7 MolecularWeight: 411.79372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O7/c1-3-12-14(16(23)27-4-2)13(20-17(24)19-12)8-28-15(22)10-6-5-9(21(25)26)7-11(10)18/h5-7,12H,3-4,8H2,1-2H3,(H2,19,20,24)/t12-/m0/s1