3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[5-(2-furyl)isoxazol-3-yl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[5-(2-furanyl)-3-isoxazolyl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[[5-(2-furyl)isoxazol-3-yl]methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C17H11N3O5 MolecularWeight: 337.28634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NOC(=C3)C4=CC=CO4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NOC(=C3)C4=CC=CO4)C(=O)O

InChI

InChI=1S/C17H11N3O5/c21-16-12-5-2-1-4-11(12)15(17(22)23)18-20(16)9-10-8-14(25-19-10)13-6-3-7-24-13/h1-8H,9H2,(H,22,23)