2-[[2-[(4-carboxyphenyl)amino]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 2-[[2-[(4-carboxyphenyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-(4-carboxyanilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[2-(4-carboxyanilino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[2-(4-carboxyanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-(4-carboxyanilino)pyrimidin-4-yl]amino]benzoic acid Formula: C18H14N4O4 MolecularWeight: 350.32816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H14N4O4/c23-16(24)11-5-7-12(8-6-11)20-18-19-10-9-15(22-18)21-14-4-2-1-3-13(14)17(25)26/h1-10H,(H,23,24)(H,25,26)(H2,19,20,21,22)