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

Systemtic Name: 3-[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C22H20N4O5/c1-2-31-16-10-8-15(9-11-16)25(13-5-12-23)19(27)14-26-21(28)18-7-4-3-6-17(18)20(24-26)22(29)30/h3-4,6-11H,2,5,13-14H2,1H3,(H,29,30)