2-chloranyl-6-[methoxycarbonyl-(5-pyrimidin-5-yl-1-benzofuran-2-yl)amino]benzoic acid

Systemtic Name: 2-chloranyl-6-[methoxycarbonyl-(5-pyrimidin-5-yl-1-benzofuran-2-yl)amino]benzoic acid Openeye Name: 2-chloro-6-[methoxycarbonyl-(5-pyrimidin-5-ylbenzofuran-2-yl)amino]benzoic acid CAS Name: 2-chloro-6-[methoxycarbonyl-[5-(5-pyrimidinyl)-2-benzofuranyl]amino]benzoic acid IUPAC Name: 2-chloro-6-[methoxycarbonyl-(5-pyrimidin-5-yl-1-benzofuran-2-yl)amino]benzoic acid Traditional Name: 2-[carbomethoxy-[5-(5-pyrimidyl)benzofuran-2-yl]amino]-6-chloro-benzoic acid Formula: C21H14ClN3O5 MolecularWeight: 423.80596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(C1=C(C(=CC=C1)Cl)C(=O)O)C2=CC3=C(O2)C=CC(=C3)C4=CN=CN=C4

Isomeric SMILES

COC(=O)N(C1=C(C(=CC=C1)Cl)C(=O)O)C2=CC3=C(O2)C=CC(=C3)C4=CN=CN=C4

InChI

InChI=1S/C21H14ClN3O5/c1-29-21(28)25(16-4-2-3-15(22)19(16)20(26)27)18-8-13-7-12(5-6-17(13)30-18)14-9-23-11-24-10-14/h2-11H,1H3,(H,26,27)