3-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(3-isoxazolylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(isoxazol-3-ylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C14H10N4O5 MolecularWeight: 314.253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=NOC=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=NOC=C3)C(=O)O

InChI

InChI=1S/C14H10N4O5/c19-11(15-10-5-6-23-17-10)7-18-13(20)9-4-2-1-3-8(9)12(16-18)14(21)22/h1-6H,7H2,(H,21,22)(H,15,17,19)