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

Systemtic Name: ethyl (4S)-4-ethyl-6-[(4-nitrophenoxy)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[(4-nitrophenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[(4-nitrophenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[(4-nitrophenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O6/c1-3-12-14(15(20)24-4-2)13(18-16(21)17-12)9-25-11-7-5-10(6-8-11)19(22)23/h5-8,12H,3-4,9H2,1-2H3,(H2,17,18,21)/t12-/m0/s1