3-[2-[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethoxy]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethoxy]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethoxy]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 3-[2-[2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethoxy]-2-keto-ethyl]-4-keto-phthalazin-1-olate Formula: C23H21N4O5- MolecularWeight: 433.43664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-])C

InChI

InChI=1S/C23H22N4O5/c1-15-10-16(2)12-17(11-15)26(9-5-8-24)20(28)14-32-21(29)13-27-23(31)19-7-4-3-6-18(19)22(30)25-27/h3-4,6-7,10-12H,5,9,13-14H2,1-2H3,(H,25,30)/p-1