4-(3-nitrophenoxy)-N-[[4-(2-oxidanylpropan-2-yl)phenyl]methyl]pyrimidine-5-carboxamide

Systemtic Name: 4-(3-nitrophenoxy)-N-[[4-(2-oxidanylpropan-2-yl)phenyl]methyl]pyrimidine-5-carboxamide Openeye Name: N-[[4-(1-hydroxy-1-methyl-ethyl)phenyl]methyl]-4-(3-nitrophenoxy)pyrimidine-5-carboxamide CAS Name: N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4-(3-nitrophenoxy)-5-pyrimidinecarboxamide IUPAC Name: N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4-(3-nitrophenoxy)pyrimidine-5-carboxamide Traditional Name: N-[4-(1-hydroxy-1-methyl-ethyl)benzyl]-4-(3-nitrophenoxy)pyrimidine-5-carboxamide Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)CNC(=O)C2=CN=CN=C2OC3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)CNC(=O)C2=CN=CN=C2OC3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H20N4O5/c1-21(2,27)15-8-6-14(7-9-15)11-23-19(26)18-12-22-13-24-20(18)30-17-5-3-4-16(10-17)25(28)29/h3-10,12-13,27H,11H2,1-2H3,(H,23,26)