(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl) 2-methyl-3-(4-nitrophenyl)propanoate

Systemtic Name: (4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl) 2-methyl-3-(4-nitrophenyl)propanoate Openeye Name: (4-hydroxy-6-oxo-1H-pyrimidin-5-yl) 2-methyl-3-(4-nitrophenyl)propanoate CAS Name: 2-methyl-3-(4-nitrophenyl)propanoic acid (4-hydroxy-6-oxo-1H-pyrimidin-5-yl) ester IUPAC Name: (4-hydroxy-6-oxo-1H-pyrimidin-5-yl) 2-methyl-3-(4-nitrophenyl)propanoate Traditional Name: 2-methyl-3-(4-nitrophenyl)propionic acid (4-hydroxy-6-keto-1H-pyrimidin-5-yl) ester Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC2=C(N=CNC2=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC2=C(N=CNC2=O)O

InChI

InChI=1S/C14H13N3O6/c1-8(6-9-2-4-10(5-3-9)17(21)22)14(20)23-11-12(18)15-7-16-13(11)19/h2-5,7-8H,6H2,1H3,(H2,15,16,18,19)