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

Systemtic Name: 5-[[6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[5-[(2-hydroxy-5-nitro-phenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[5-(2-hydroxy-5-nitro-benzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C19H16N4O7 MolecularWeight: 412.35294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC(=C(C=C2)O)C(=O)O)CC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC(=C(C=C2)O)C(=O)O)CC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H16N4O7/c1-9-13(7-10-6-12(23(29)30)3-5-15(10)24)17(26)22-19(20-9)21-11-2-4-16(25)14(8-11)18(27)28/h2-6,8,24-25H,7H2,1H3,(H,27,28)(H2,20,21,22,26)