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

Systemtic Name: 3-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(cyanomethylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(cyanomethylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(cyanomethylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(cyanomethylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C13H10N4O4 MolecularWeight: 286.2429

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC#N)C(=O)O

InChI

InChI=1S/C13H10N4O4/c14-5-6-15-10(18)7-17-12(19)9-4-2-1-3-8(9)11(16-17)13(20)21/h1-4H,6-7H2,(H,15,18)(H,20,21)