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

Systemtic Name: 5-[[5-[(4-nitrophenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[4-hydroxy-5-[(4-nitrophenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[4-hydroxy-5-[(4-nitrophenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[4-hydroxy-5-[(4-nitrophenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[4-hydroxy-6-keto-5-(4-nitrobenzyl)-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C18H14N4O7 MolecularWeight: 398.32636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(N=C(NC2=O)NC3=CC(=C(C=C3)O)C(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=C(N=C(NC2=O)NC3=CC(=C(C=C3)O)C(=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O7/c23-14-6-3-10(8-12(14)17(26)27)19-18-20-15(24)13(16(25)21-18)7-9-1-4-11(5-2-9)22(28)29/h1-6,8,23H,7H2,(H,26,27)(H3,19,20,21,24,25)