1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-(phenylcarbonyl)phthalazine-1-carbonitrile

Systemtic Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-(phenylcarbonyl)phthalazine-1-carbonitrile Openeye Name: 2-benzoyl-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]phthalazine-1-carbonitrile CAS Name: 2-benzoyl-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1-phthalazinecarbonitrile IUPAC Name: 2-benzoyl-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]phthalazine-1-carbonitrile Traditional Name: 2-benzoyl-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]phthalazine-1-carbonitrile Formula: C24H16N4O5 MolecularWeight: 440.40764

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC3(C4=CC=CC=C4C=NN3C(=O)C5=CC=CC=C5)C#N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC3(C4=CC=CC=C4C=NN3C(=O)C5=CC=CC=C5)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H16N4O5/c25-14-24(12-18-10-21-22(33-15-32-21)11-20(18)28(30)31)19-9-5-4-8-17(19)13-26-27(24)23(29)16-6-2-1-3-7-16/h1-11,13H,12,15H2