3-[[5-[(2-chlorophenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[5-[(2-chlorophenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[5-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[5-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 3-[[5-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[5-(2-chlorobenzyl)-4-hydroxy-6-keto-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=C(N=C(NC2=O)NC3=CC=CC(=C3)C(=O)O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CC2=C(N=C(NC2=O)NC3=CC=CC(=C3)C(=O)O)O)Cl

InChI

InChI=1S/C18H14ClN3O4/c19-14-7-2-1-4-10(14)9-13-15(23)21-18(22-16(13)24)20-12-6-3-5-11(8-12)17(25)26/h1-8H,9H2,(H,25,26)(H3,20,21,22,23,24)