3-[[3-[(4-carboxylato-1-oxidanylidene-phthalazin-2-yl)methyl]phenyl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[[3-[(4-carboxylato-1-oxidanylidene-phthalazin-2-yl)methyl]phenyl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[[3-[(4-carboxylato-1-oxo-phthalazin-2-yl)methyl]phenyl]methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[[3-[(4-carboxylato-1-oxo-2-phthalazinyl)methyl]phenyl]methyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[[3-[(4-carboxylato-1-oxophthalazin-2-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[3-[(4-carboxylato-1-keto-phthalazin-2-yl)methyl]benzyl]-4-keto-phthalazine-1-carboxylate Formula: C26H16N4O6-2 MolecularWeight: 480.42844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC(=CC=C3)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC(=CC=C3)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C26H18N4O6/c31-23-19-10-3-1-8-17(19)21(25(33)34)27-29(23)13-15-6-5-7-16(12-15)14-30-24(32)20-11-4-2-9-18(20)22(28-30)26(35)36/h1-12H,13-14H2,(H,33,34)(H,35,36)/p-2