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

Systemtic Name: ethyl (4S)-4-ethyl-6-[(4-methoxy-2-nitro-phenoxy)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[(4-methoxy-2-nitro-phenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[(4-methoxy-2-nitrophenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[(4-methoxy-2-nitrophenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[(4-methoxy-2-nitro-phenoxy)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H21N3O7 MolecularWeight: 379.36454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O7/c1-4-11-15(16(21)26-5-2)12(19-17(22)18-11)9-27-14-7-6-10(25-3)8-13(14)20(23)24/h6-8,11H,4-5,9H2,1-3H3,(H2,18,19,22)/t11-/m0/s1