2-[2-[(4-nitrophenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-nitrophenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4-hydroxy-2-[(4-nitrophenyl)methyl]-6-oxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[4-hydroxy-2-[(4-nitrophenyl)methyl]-6-oxo-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[4-hydroxy-2-[(4-nitrophenyl)methyl]-6-oxo-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-hydroxy-6-keto-2-(4-nitrobenzyl)-1H-pyrimidin-5-yl]acetic acid Formula: C13H11N3O6 MolecularWeight: 305.24294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NC(=C(C(=O)N2)CC(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=NC(=C(C(=O)N2)CC(=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O6/c17-11(18)6-9-12(19)14-10(15-13(9)20)5-7-1-3-8(4-2-7)16(21)22/h1-4H,5-6H2,(H,17,18)(H2,14,15,19,20)