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

Systemtic Name: ethyl (4S)-4-ethyl-6-[(4-methyl-3-nitro-phenyl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[(4-methyl-3-nitro-benzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[(4-methyl-3-nitrophenyl)-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[(4-methyl-3-nitrobenzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[(4-methyl-3-nitro-benzoyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N3O7 MolecularWeight: 391.37524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O7/c1-4-12-15(17(23)27-5-2)13(20-18(24)19-12)9-28-16(22)11-7-6-10(3)14(8-11)21(25)26/h6-8,12H,4-5,9H2,1-3H3,(H2,19,20,24)/t12-/m0/s1