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

Systemtic Name: ethyl (4S)-6-[(5-chloranyl-2-nitro-phenyl)carbonyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(5-chloro-2-nitro-benzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(5-chloro-2-nitrophenyl)-oxomethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(5-chloro-2-nitrobenzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(5-chloro-2-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=CC(=C2)Cl)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O7/c1-3-11-14(16(23)27-4-2)12(20-17(24)19-11)8-28-15(22)10-7-9(18)5-6-13(10)21(25)26/h5-7,11H,3-4,8H2,1-2H3,(H2,19,20,24)/t11-/m0/s1