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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H19N3O7 MolecularWeight: 473.43426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O7/c29-24-21-9-5-4-8-20(21)22(26-27(24)12-16-6-2-1-3-7-16)25(30)34-14-18-11-19(28(31)32)10-17-13-33-15-35-23(17)18/h1-11H,12-15H2