4-nitro-2-[[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]methyl]phenolate Openeye Name: 4-nitro-2-[[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]methyl]phenolate CAS Name: 4-nitro-2-[[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]methyl]phenolate Traditional Name: 2-[[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]methyl]-4-nitro-phenolate Formula: C22H15N4O5- MolecularWeight: 415.3783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C22H16N4O5/c27-19-11-10-16(26(30)31)12-14(19)13-23-21(28)20-17-8-4-5-9-18(17)22(29)25(24-20)15-6-2-1-3-7-15/h1-12,27H,13H2,(H,23,28)/p-1