4-oxidanylidene-3-[2-oxidanylidene-2-(1H-1,2,4-triazol-5-ylamino)ethyl]phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(1H-1,2,4-triazol-5-ylamino)ethyl]phthalazin-1-olate Openeye Name: 4-oxo-3-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]phthalazin-1-olate CAS Name: 4-oxo-3-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]-1-phthalazinolate IUPAC Name: 4-oxo-3-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]phthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-(1H-1,2,4-triazol-5-ylamino)ethyl]phthalazin-1-olate Formula: C12H9N6O3- MolecularWeight: 285.23826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=NC=NN3)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=NC=NN3)[O-]

InChI

InChI=1S/C12H10N6O3/c19-9(15-12-13-6-14-16-12)5-18-11(21)8-4-2-1-3-7(8)10(20)17-18/h1-4,6H,5H2,(H,17,20)(H2,13,14,15,16,19)/p-1