3-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C15H14N4O4 MolecularWeight: 314.29606

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

Isomeric SMILES

CN(CCC#N)C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C15H14N4O4/c1-18(8-4-7-16)12(20)9-19-14(21)11-6-3-2-5-10(11)13(17-19)15(22)23/h2-3,5-6H,4,8-9H2,1H3,(H,22,23)