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

Systemtic Name: ethyl 6-[(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(3-cyano-5-nitro-2-oxo-1-pyridyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(3-cyano-5-nitro-2-oxo-1-pyridinyl)methyl]-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]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(3-cyano-2-keto-5-nitro-1-pyridyl)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H13N5O6 MolecularWeight: 347.28292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O6/c1-2-25-13(21)10-5-16-14(22)17-11(10)7-18-6-9(19(23)24)3-8(4-15)12(18)20/h3,6H,2,5,7H2,1H3,(H2,16,17,22)