4-[3-[6-oxidanylidene-1-(4-phenyl-1,3-oxazol-2-yl)pyridazin-3-yl]prop-2-ynyl]benzoic acid

Systemtic Name: 4-[3-[6-oxidanylidene-1-(4-phenyl-1,3-oxazol-2-yl)pyridazin-3-yl]prop-2-ynyl]benzoic acid Openeye Name: 4-[3-[6-oxo-1-(4-phenyloxazol-2-yl)pyridazin-3-yl]prop-2-ynyl]benzoic acid CAS Name: 4-[3-[6-oxo-1-(4-phenyl-2-oxazolyl)-3-pyridazinyl]prop-2-ynyl]benzoic acid IUPAC Name: 4-[3-[6-oxo-1-(4-phenyl-1,3-oxazol-2-yl)pyridazin-3-yl]prop-2-ynyl]benzoic acid Traditional Name: 4-[3-[6-keto-1-(4-phenyloxazol-2-yl)pyridazin-3-yl]prop-2-ynyl]benzoic acid Formula: C23H15N3O4 MolecularWeight: 397.3829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=COC(=N2)N3C(=O)C=CC(=N3)C#CCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=COC(=N2)N3C(=O)C=CC(=N3)C#CCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H15N3O4/c27-21-14-13-19(8-4-5-16-9-11-18(12-10-16)22(28)29)25-26(21)23-24-20(15-30-23)17-6-2-1-3-7-17/h1-3,6-7,9-15H,5H2,(H,28,29)