ethyl (6S)-3-ethyl-4-[(4-nitropyrazol-1-yl)methyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-ethyl-4-[(4-nitropyrazol-1-yl)methyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-ethyl-4-[(4-nitropyrazol-1-yl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-4-[(4-nitro-1-pyrazolyl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-ethyl-4-[(4-nitropyrazol-1-yl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-ethyl-2-keto-4-[(4-nitropyrazol-1-yl)methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=C([C@@H](NC1=O)C2=CC=CC=C2)C(=O)OCC)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O5/c1-3-23-15(12-22-11-14(10-20-22)24(27)28)16(18(25)29-4-2)17(21-19(23)26)13-8-6-5-7-9-13/h5-11,17H,3-4,12H2,1-2H3,(H,21,26)/t17-/m0/s1