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

Systemtic Name: 5-[[6-methyl-5-[(4-nitrophenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[6-methyl-5-[(4-nitrophenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[6-methyl-5-[(4-nitrophenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[6-methyl-5-[(4-nitrophenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[4-keto-6-methyl-5-(4-nitrobenzyl)-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)O)C(=O)O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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