4-(4-oxidanidyl-1-oxidanylidene-6-phenyl-phthalazin-2-yl)benzoate

Systemtic Name: 4-(4-oxidanidyl-1-oxidanylidene-6-phenyl-phthalazin-2-yl)benzoate Openeye Name: 4-(4-oxido-1-oxo-6-phenyl-phthalazin-2-yl)benzoate CAS Name: 4-(4-oxido-1-oxo-6-phenyl-2-phthalazinyl)benzoate IUPAC Name: 4-(4-oxido-1-oxo-6-phenylphthalazin-2-yl)benzoate Traditional Name: 4-(1-keto-4-oxido-6-phenyl-phthalazin-2-yl)benzoate Formula: C21H12N2O4-2 MolecularWeight: 356.33098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)N(N=C3[O-])C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)N(N=C3[O-])C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C21H14N2O4/c24-19-18-12-15(13-4-2-1-3-5-13)8-11-17(18)20(25)23(22-19)16-9-6-14(7-10-16)21(26)27/h1-12H,(H,22,24)(H,26,27)/p-2