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

Systemtic Name: ethyl 6-[(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(3-cyano-5-nitro-2-oxo-1-pyridyl)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(3-cyano-5-nitro-2-oxo-1-pyridinyl)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-cyano-5-nitro-2-oxopyridin-1-yl)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(3-cyano-2-keto-5-nitro-1-pyridyl)methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N5O6 MolecularWeight: 375.33608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C16H17N5O6/c1-3-11-13(15(23)27-4-2)12(19-16(24)18-11)8-20-7-10(21(25)26)5-9(6-17)14(20)22/h5,7,11H,3-4,8H2,1-2H3,(H2,18,19,24)