2-(3-methyl-7-oxidanylidene-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-6-yl)pentanoic acid

Systemtic Name: 2-(3-methyl-7-oxidanylidene-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-6-yl)pentanoic acid Openeye Name: 2-(3-methyl-7-oxo-4-phenyl-isoxazolo[3,4-d]pyridazin-6-yl)pentanoic acid CAS Name: 2-(3-methyl-7-oxo-4-phenyl-6-isoxazolo[3,4-d]pyridazinyl)pentanoic acid IUPAC Name: 2-(3-methyl-7-oxo-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-6-yl)pentanoic acid Traditional Name: 2-(7-keto-3-methyl-4-phenyl-isoxazolo[3,4-d]pyridazin-6-yl)valeric acid Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)N1C(=O)C2=NOC(=C2C(=N1)C3=CC=CC=C3)C

Isomeric SMILES

CCCC(C(=O)O)N1C(=O)C2=NOC(=C2C(=N1)C3=CC=CC=C3)C

InChI

InChI=1S/C17H17N3O4/c1-3-7-12(17(22)23)20-16(21)15-13(10(2)24-19-15)14(18-20)11-8-5-4-6-9-11/h4-6,8-9,12H,3,7H2,1-2H3,(H,22,23)