ethyl 1-(2,2-diethoxyethyl)-2-(3,5-dinitrophenyl)-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-(2,2-diethoxyethyl)-2-(3,5-dinitrophenyl)-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-(2,2-diethoxyethyl)-2-(3,5-dinitrophenyl)-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-(2,2-diethoxyethyl)-2-(3,5-dinitrophenyl)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,2-diethoxyethyl)-2-(3,5-dinitrophenyl)-6-oxopyrimidine-5-carboxylate Traditional Name: 1-(2,2-diethoxyethyl)-2-(3,5-dinitrophenyl)-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H22N4O9 MolecularWeight: 450.39938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(=NC=C(C1=O)C(=O)OCC)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OCC

Isomeric SMILES

CCOC(CN1C(=NC=C(C1=O)C(=O)OCC)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OCC

InChI

InChI=1S/C19H22N4O9/c1-4-30-16(31-5-2)11-21-17(20-10-15(18(21)24)19(25)32-6-3)12-7-13(22(26)27)9-14(8-12)23(28)29/h7-10,16H,4-6,11H2,1-3H3