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

Systemtic Name: 4-[[6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[5-[(2-hydroxy-5-nitro-phenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 4-[[5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[5-(2-hydroxy-5-nitro-benzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C19H16N4O6 MolecularWeight: 396.35354

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H16N4O6/c1-10-15(9-12-8-14(23(28)29)6-7-16(12)24)17(25)22-19(20-10)21-13-4-2-11(3-5-13)18(26)27/h2-8,24H,9H2,1H3,(H,26,27)(H2,20,21,22,25)