4-oxidanylidene-3-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-2-(prop-2-ynylamino)ethyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-(prop-2-ynylamino)ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-(prop-2-ynylamino)ethyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(propargylamino)ethyl]phthalazine-1-carboxylic acid Formula: C14H11N3O4 MolecularWeight: 285.25484

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

Isomeric SMILES

C#CCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C14H11N3O4/c1-2-7-15-11(18)8-17-13(19)10-6-4-3-5-9(10)12(16-17)14(20)21/h1,3-6H,7-8H2,(H,15,18)(H,20,21)