4-[[2-[(4-carboxylatophenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: 4-[[2-[(4-carboxylatophenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: 4-[[2-(4-carboxylatoanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[2-(4-carboxylatoanilino)-4-pyrimidinyl]amino]benzoate IUPAC Name: 4-[[2-(4-carboxylatoanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[2-(4-carboxylatoanilino)pyrimidin-4-yl]amino]benzoate Formula: C18H12N4O4-2 MolecularWeight: 348.31228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)[O-]

InChI

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