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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=NN(C3=O)C(=O)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=NN(C3=O)C(=O)NCC4=CC=C(C=C4)C(=O)O

InChI

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