4-[2-[6-oxidanylidene-5-(3-phenylprop-1-ynyl)pyridazin-1-yl]-1,3-oxazol-5-yl]benzoic acid

Systemtic Name: 4-[2-[6-oxidanylidene-5-(3-phenylprop-1-ynyl)pyridazin-1-yl]-1,3-oxazol-5-yl]benzoic acid Openeye Name: 4-[2-[6-oxo-5-(3-phenylprop-1-ynyl)pyridazin-1-yl]oxazol-5-yl]benzoic acid CAS Name: 4-[2-[6-oxo-5-(3-phenylprop-1-ynyl)-1-pyridazinyl]-5-oxazolyl]benzoic acid IUPAC Name: 4-[2-[6-oxo-5-(3-phenylprop-1-ynyl)pyridazin-1-yl]-1,3-oxazol-5-yl]benzoic acid Traditional Name: 4-[2-[6-keto-5-(3-phenylprop-1-ynyl)pyridazin-1-yl]oxazol-5-yl]benzoic acid Formula: C23H15N3O4 MolecularWeight: 397.3829

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=CC=NN(C2=O)C3=NC=C(O3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=CC=NN(C2=O)C3=NC=C(O3)C4=CC=C(C=C4)C(=O)O

InChI

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