4-(6-oxidanidyl-1-oxidanylidene-10H-imidazo[5,1-a]phthalazin-3-yl)benzoate

Systemtic Name: 4-(6-oxidanidyl-1-oxidanylidene-10H-imidazo[5,1-a]phthalazin-3-yl)benzoate Openeye Name: 4-(6-oxido-1-oxo-10H-imidazo[5,1-a]phthalazin-3-yl)benzoate CAS Name: 4-(6-oxido-1-oxo-10H-imidazo[5,1-a]phthalazin-3-yl)benzoate IUPAC Name: 4-(6-oxido-1-oxo-10H-imidazo[5,1-a]phthalazin-3-yl)benzoate Traditional Name: 4-(1-keto-6-oxido-10H-imidazo[5,1-a]phthalazin-3-yl)benzoate Formula: C17H9N3O4-2 MolecularWeight: 319.27106

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C2C1=C3C(=O)N=C(N3N=C2[O-])C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1C=CC=C2C1=C3C(=O)N=C(N3N=C2[O-])C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C17H11N3O4/c21-15-12-4-2-1-3-11(12)13-16(22)18-14(20(13)19-15)9-5-7-10(8-6-9)17(23)24/h1-2,4-8H,3H2,(H,19,21)(H,23,24)/p-2