2-[[2-[(2-carboxylatophenyl)amino]-6-chloranyl-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-[[2-[(2-carboxylatophenyl)amino]-6-chloranyl-pyrimidin-4-yl]amino]benzoate Openeye Name: 2-[[2-(2-carboxylatoanilino)-6-chloro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[2-(2-carboxylatoanilino)-6-chloro-4-pyrimidinyl]amino]benzoate IUPAC Name: 2-[[2-(2-carboxylatoanilino)-6-chloropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[2-(2-carboxylatoanilino)-6-chloro-pyrimidin-4-yl]amino]benzoate Formula: C18H11ClN4O4-2 MolecularWeight: 382.75734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NC2=CC(=NC(=N2)NC3=CC=CC=C3C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])NC2=CC(=NC(=N2)NC3=CC=CC=C3C(=O)[O-])Cl

InChI

InChI=1S/C18H13ClN4O4/c19-14-9-15(20-12-7-3-1-5-10(12)16(24)25)23-18(22-14)21-13-8-4-2-6-11(13)17(26)27/h1-9H,(H,24,25)(H,26,27)(H2,20,21,22,23)/p-2