diethyl 2-[2-(dimethylamino)-5-nitro-pyrimidin-4-yl]propanedioate

Systemtic Name: diethyl 2-[2-(dimethylamino)-5-nitro-pyrimidin-4-yl]propanedioate Openeye Name: diethyl 2-[2-(dimethylamino)-5-nitro-pyrimidin-4-yl]propanedioate CAS Name: 2-[2-(dimethylamino)-5-nitro-4-pyrimidinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(dimethylamino)-5-nitropyrimidin-4-yl]propanedioate Traditional Name: 2-[2-(dimethylamino)-5-nitro-pyrimidin-4-yl]malonic acid diethyl ester Formula: C13H18N4O6 MolecularWeight: 326.30522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O6/c1-5-22-11(18)9(12(19)23-6-2)10-8(17(20)21)7-14-13(15-10)16(3)4/h7,9H,5-6H2,1-4H3