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

Systemtic Name: 3-[2-[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[2-[bis(2-cyanoethyl)amino]-2-oxo-ethoxy]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[2-[bis(2-cyanoethyl)amino]-2-oxoethoxy]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[2-[bis(2-cyanoethyl)amino]-2-oxoethoxy]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 3-[2-[2-[bis(2-cyanoethyl)amino]-2-keto-ethoxy]-2-keto-ethyl]-4-keto-phthalazin-1-olate Formula: C18H16N5O5- MolecularWeight: 382.35014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)OCC(=O)N(CCC#N)CCC#N)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)OCC(=O)N(CCC#N)CCC#N)[O-]

InChI

InChI=1S/C18H17N5O5/c19-7-3-9-22(10-4-8-20)15(24)12-28-16(25)11-23-18(27)14-6-2-1-5-13(14)17(26)21-23/h1-2,5-6H,3-4,9-12H2,(H,21,26)/p-1