4-[[[6-oxidanylidene-1-(5-phenyl-1,3-oxazol-2-yl)pyridazin-3-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[6-oxidanylidene-1-(5-phenyl-1,3-oxazol-2-yl)pyridazin-3-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[6-oxo-1-(5-phenyloxazol-2-yl)pyridazine-3-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[6-oxo-1-(5-phenyl-2-oxazolyl)-3-pyridazinyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[6-oxo-1-(5-phenyl-1,3-oxazol-2-yl)pyridazine-3-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[6-keto-1-(5-phenyloxazol-2-yl)pyridazine-3-carbonyl]amino]methyl]benzoic acid Formula: C22H16N4O5 MolecularWeight: 416.38624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(O2)N3C(=O)C=CC(=N3)C(=O)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(O2)N3C(=O)C=CC(=N3)C(=O)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H16N4O5/c27-19-11-10-17(20(28)23-12-14-6-8-16(9-7-14)21(29)30)25-26(19)22-24-13-18(31-22)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,23,28)(H,29,30)