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

Systemtic Name: ethyl (4S)-6-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H21N5O5 MolecularWeight: 351.35774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)OCC

InChI

InChI=1S/C15H21N5O5/c1-5-10-12(14(21)25-6-2)11(17-15(22)16-10)7-19-9(4)13(20(23)24)8(3)18-19/h10H,5-7H2,1-4H3,(H2,16,17,22)/t10-/m0/s1