diethyl 2-[6-[[4-(2-hydroxyethyl)phenyl]amino]-2-methyl-5-nitro-pyrimidin-4-yl]propanedioate

Systemtic Name: diethyl 2-[6-[[4-(2-hydroxyethyl)phenyl]amino]-2-methyl-5-nitro-pyrimidin-4-yl]propanedioate Openeye Name: diethyl 2-[6-[4-(2-hydroxyethyl)anilino]-2-methyl-5-nitro-pyrimidin-4-yl]propanedioate CAS Name: 2-[6-[4-(2-hydroxyethyl)anilino]-2-methyl-5-nitro-4-pyrimidinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[6-[4-(2-hydroxyethyl)anilino]-2-methyl-5-nitropyrimidin-4-yl]propanedioate Traditional Name: 2-[6-[4-(2-hydroxyethyl)anilino]-2-methyl-5-nitro-pyrimidin-4-yl]malonic acid diethyl ester Formula: C20H24N4O7 MolecularWeight: 432.42716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C(=NC(=N1)C)NC2=CC=C(C=C2)CCO)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=C(C(=NC(=N1)C)NC2=CC=C(C=C2)CCO)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H24N4O7/c1-4-30-19(26)15(20(27)31-5-2)16-17(24(28)29)18(22-12(3)21-16)23-14-8-6-13(7-9-14)10-11-25/h6-9,15,25H,4-5,10-11H2,1-3H3,(H,21,22,23)