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

Systemtic Name: 4-nitro-2-[[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]methyl]phenolate Openeye Name: 2-[[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]methyl]-4-nitro-phenolate CAS Name: 4-nitro-2-[[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]methyl]phenolate IUPAC Name: 2-[[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]methyl]-4-nitro-phenolate Formula: C23H17N4O5- MolecularWeight: 429.40488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C23H18N4O5/c28-20-11-10-17(27(31)32)12-16(20)13-24-22(29)21-18-8-4-5-9-19(18)23(30)26(25-21)14-15-6-2-1-3-7-15/h1-12,28H,13-14H2,(H,24,29)/p-1