(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H17N3O7 MolecularWeight: 459.40768

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H17N3O7/c28-23-20-9-5-4-8-19(20)21(25-26(23)17-6-2-1-3-7-17)24(29)33-13-16-11-18(27(30)31)10-15-12-32-14-34-22(15)16/h1-11H,12-14H2