ethyl (4S)-4-ethyl-6-[(2-nitropyridin-3-yl)oxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-6-[(2-nitropyridin-3-yl)oxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[(2-nitro-3-pyridyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[(2-nitro-3-pyridinyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[(2-nitropyridin-3-yl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[(2-nitro-3-pyridyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H18N4O6 MolecularWeight: 350.32662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O6/c1-3-9-12(14(20)24-4-2)10(18-15(21)17-9)8-25-11-6-5-7-16-13(11)19(22)23/h5-7,9H,3-4,8H2,1-2H3,(H2,17,18,21)/t9-/m0/s1