2-chloranyl-6-[(5-pyridazin-4-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid

Systemtic Name: 2-chloranyl-6-[(5-pyridazin-4-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Openeye Name: 2-chloro-6-[(5-pyridazin-4-ylbenzofuran-2-yl)methoxycarbonylamino]benzoic acid CAS Name: 2-chloro-6-[[oxo-[[5-(4-pyridazinyl)-2-benzofuranyl]methoxy]methyl]amino]benzoic acid IUPAC Name: 2-chloro-6-[(5-pyridazin-4-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Traditional Name: 2-chloro-6-[(5-pyridazin-4-ylbenzofuran-2-yl)methoxycarbonylamino]benzoic acid Formula: C21H14ClN3O5 MolecularWeight: 423.80596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C(=O)O)NC(=O)OCC2=CC3=C(O2)C=CC(=C3)C4=CN=NC=C4

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C(=O)O)NC(=O)OCC2=CC3=C(O2)C=CC(=C3)C4=CN=NC=C4

InChI

InChI=1S/C21H14ClN3O5/c22-16-2-1-3-17(19(16)20(26)27)25-21(28)29-11-15-9-14-8-12(4-5-18(14)30-15)13-6-7-23-24-10-13/h1-10H,11H2,(H,25,28)(H,26,27)