3-(1,2-oxazol-5-ylmethyl)-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-(1,2-oxazol-5-ylmethyl)-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-(isoxazol-5-ylmethyl)-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-(5-isoxazolylmethyl)-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-(1,2-oxazol-5-ylmethyl)-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(isoxazol-5-ylmethyl)-4-keto-phthalazine-1-carboxylic acid Formula: C13H9N3O4 MolecularWeight: 271.22826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=NO3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=NO3)C(=O)O

InChI

InChI=1S/C13H9N3O4/c17-12-10-4-2-1-3-9(10)11(13(18)19)15-16(12)7-8-5-6-14-20-8/h1-6H,7H2,(H,18,19)