3-[2-(3-cyanopropoxy)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-(3-cyanopropoxy)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-(3-cyanopropoxy)-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-(3-cyanopropoxy)-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-(3-cyanopropoxy)-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 3-[2-(3-cyanopropoxy)-2-keto-ethyl]-4-keto-phthalazin-1-olate Formula: C14H12N3O4- MolecularWeight: 286.26278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4/c15-7-3-4-8-21-12(18)9-17-14(20)11-6-2-1-5-10(11)13(19)16-17/h1-2,5-6H,3-4,8-9H2,(H,16,19)/p-1