N-[5-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]ethanamide

Systemtic Name: N-[5-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]ethanamide Openeye Name: N-[4-hydroxy-5-[(2-hydroxy-5-nitro-phenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide CAS Name: N-[4-hydroxy-5-[(2-hydroxy-5-nitrophenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide IUPAC Name: N-[4-hydroxy-5-[(2-hydroxy-5-nitrophenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide Traditional Name: N-[4-hydroxy-5-(2-hydroxy-5-nitro-benzyl)-6-keto-1H-pyrimidin-2-yl]acetamide Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=C(C(=O)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])O)O

Isomeric SMILES

CC(=O)NC1=NC(=C(C(=O)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])O)O

InChI

InChI=1S/C13H12N4O6/c1-6(18)14-13-15-11(20)9(12(21)16-13)5-7-4-8(17(22)23)2-3-10(7)19/h2-4,19H,5H2,1H3,(H3,14,15,16,18,20,21)